All Chemical Compounds: 2013

Friday, August 16, 2013

All Chemical Compounds Information

Product OPENEYE NAME: 2-heptyl-7-hexoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-heptyl-7-hexoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-heptyl-7-hexoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-heptyl-7-hexoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C27H50O
MOLECULAR WEIGHT: 390.6853
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCCCCC
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Product OPENEYE NAME: 1-hexyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CAS Name: 1-hexyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
IUPAC NAME: 1-hexyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SYSTEMATIC NAME: 1-hexyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CCCCCCC1=C2CCCCC2CCC1=O
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Product OPENEYE NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
CAS Name: heptanoic acid (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
SYSTEMATIC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
MOLECULAR FORMULA: C24H42O2
MOLECULAR WEIGHT: 362.58908
SMILES: CCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
CAS Name: octanoic acid (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
SYSTEMATIC NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
MOLECULAR FORMULA: C27H48O2
MOLECULAR WEIGHT: 404.66882
SMILES: CCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCCC
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Product OPENEYE NAME: 2,7-di(nonyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2,7-di(nonyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2,7-di(nonyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2,7-di(nonyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C32H60
MOLECULAR WEIGHT: 444.8188
SMILES: CCCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)CCCCCCCCC
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Product OPENEYE NAME: 2-butyl-7-chloro-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-butyl-7-chloro-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-butyl-7-chloro-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-butyl-7-chloranyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C18H31Cl
MOLECULAR WEIGHT: 282.89174
SMILES: CCCCC1CCC2C(C1)CCC3C2CCC(C3)Cl
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Product OPENEYE NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
CAS Name: acetic acid (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
SYSTEMATIC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ethanoate
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)C
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Product OPENEYE NAME: 2-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C21H38
MOLECULAR WEIGHT: 290.52642
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCCC3
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Product OPENEYE NAME: (7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
CAS Name: nonanoic acid (7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
SYSTEMATIC NAME: (7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
MOLECULAR FORMULA: C29H52O2
MOLECULAR WEIGHT: 432.72198
SMILES: CCCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCCCC
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Product OPENEYE NAME: 2-butoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-butoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-butoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-butoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C23H42O
MOLECULAR WEIGHT: 334.57898
SMILES: CCCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCCC
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Product OPENEYE NAME: 2-chloro-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-chloro-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-chloro-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-chloranyl-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C22H39Cl
MOLECULAR WEIGHT: 338.99806
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 2-pentoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-pentoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-pentoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-pentoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C22H40O
MOLECULAR WEIGHT: 320.5524
SMILES: CCCCCOC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
CAS Name: nonanoic acid (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
SYSTEMATIC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
MOLECULAR FORMULA: C27H48O2
MOLECULAR WEIGHT: 404.66882
SMILES: CCCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCC
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Product OPENEYE NAME: 2,7-dipropyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2,7-dipropyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2,7-dipropyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2,7-dipropyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C20H36
MOLECULAR WEIGHT: 276.49984
SMILES: CCCC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: 2-chloro-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-chloro-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-chloro-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-chloranyl-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C17H29Cl
MOLECULAR WEIGHT: 268.86516
SMILES: CCCC1CCC2C(C1)CCC3C2CCC(C3)Cl
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Product OPENEYE NAME: 7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
CAS Name: 7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
IUPAC NAME: 7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
SYSTEMATIC NAME: 7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
MOLECULAR FORMULA: C22H37N
MOLECULAR WEIGHT: 315.53588
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)C#N
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Product OPENEYE NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
CAS Name: acetic acid (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
SYSTEMATIC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ethanoate
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)C
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Product OPENEYE NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) propanoate
CAS Name: propanoic acid (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) propanoate
SYSTEMATIC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) propanoate
MOLECULAR FORMULA: C24H42O2
MOLECULAR WEIGHT: 362.58908
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CC
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Product OPENEYE NAME: 2-butoxy-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-butoxy-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-butoxy-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-butoxy-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C22H40O
MOLECULAR WEIGHT: 320.5524
SMILES: CCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCCC
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Product OPENEYE NAME: 2-chloro-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-chloro-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-chloro-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-chloranyl-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C19H33Cl
MOLECULAR WEIGHT: 296.91832
SMILES: CCCCCC1CCC2C(C1)CCC3C2CCC(C3)Cl
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Product OPENEYE NAME: 2-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C16H28
MOLECULAR WEIGHT: 220.39352
SMILES: CCC1CCC2C(C1)CCC3C2CCCC3
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All Chemical Compounds Information

Product OPENEYE NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
CAS Name: heptanoic acid (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
SYSTEMATIC NAME: (7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) heptanoate
MOLECULAR FORMULA: C25H44O2
MOLECULAR WEIGHT: 376.61566
SMILES: CCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCCC
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Product OPENEYE NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
CAS Name: octanoic acid (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
SYSTEMATIC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
MOLECULAR FORMULA: C29H52O2
MOLECULAR WEIGHT: 432.72198
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CCCCCCC
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Product OPENEYE NAME: 2-heptoxy-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-heptoxy-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-heptoxy-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-heptoxy-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C27H50O
MOLECULAR WEIGHT: 390.6853
SMILES: CCCCCCCOC1CCC2C(C1)CCC3C2CCC(C3)CCCCCC
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Product OPENEYE NAME: 2-butoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-butoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-butoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-butoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C21H38O
MOLECULAR WEIGHT: 306.52582
SMILES: CCCCOC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: 2-bromo-7-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-bromo-7-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-bromo-7-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-bromanyl-7-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C24H43Br
MOLECULAR WEIGHT: 411.50222
SMILES: CCCCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Br
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Product OPENEYE NAME: 7-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
CAS Name: 7-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
IUPAC NAME: 7-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
SYSTEMATIC NAME: 7-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
MOLECULAR FORMULA: C17H27N
MOLECULAR WEIGHT: 245.40298
SMILES: CCC1CCC2C(C1)CCC3C2CCC(C3)C#N
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Product OPENEYE NAME: 2-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C23H42
MOLECULAR WEIGHT: 318.57958
SMILES: CCCCCCCCCC1CCC2C(C1)CCC3C2CCCC3
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Product OPENEYE NAME: 2-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C19H34
MOLECULAR WEIGHT: 262.47326
SMILES: CCCCCC1CCC2C(C1)CCC3C2CCCC3
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Product OPENEYE NAME: 2-bromo-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-bromo-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-bromo-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-bromanyl-7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C20H35Br
MOLECULAR WEIGHT: 355.3959
SMILES: CCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Br
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Product OPENEYE NAME: 2-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C22H40
MOLECULAR WEIGHT: 304.553
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCCC3
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Product OPENEYE NAME: 2-chloro-7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-chloro-7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-chloro-7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-chloranyl-7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C23H41Cl
MOLECULAR WEIGHT: 353.02464
SMILES: CCCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Cl
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Product OPENEYE NAME: 7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
CAS Name: 7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
IUPAC NAME: 7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
SYSTEMATIC NAME: 7-nonyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
MOLECULAR FORMULA: C24H41N
MOLECULAR WEIGHT: 343.58904
SMILES: CCCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)C#N
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Product OPENEYE NAME: 2-pentoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-pentoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-pentoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-pentoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C24H44O
MOLECULAR WEIGHT: 348.60556
SMILES: CCCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCCCC
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Product OPENEYE NAME: 7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CAS Name: 7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
IUPAC NAME: 7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
SYSTEMATIC NAME: 7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
MOLECULAR FORMULA: C20H36O
MOLECULAR WEIGHT: 292.49924
SMILES: CCCCCCC1CCC2C(C1)CCC3C2CCCC3O
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Product OPENEYE NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
CAS Name: acetic acid (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) acetate
SYSTEMATIC NAME: (7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ethanoate
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)C
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Product OPENEYE NAME: 2-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C18H32
MOLECULAR WEIGHT: 248.44668
SMILES: CCCCC1CCC2C(C1)CCC3C2CCCC3
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Product OPENEYE NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
CAS Name: octanoic acid (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
SYSTEMATIC NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) octanoate
MOLECULAR FORMULA: C30H54O2
MOLECULAR WEIGHT: 446.74856
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CCCCCCC
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Product OPENEYE NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
CAS Name: nonanoic acid (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
SYSTEMATIC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
MOLECULAR FORMULA: C26H46O2
MOLECULAR WEIGHT: 390.64224
SMILES: CCCCCCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: 2-heptoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-heptoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-heptoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-heptoxy-7-pentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C26H48O
MOLECULAR WEIGHT: 376.65872
SMILES: CCCCCCCOC1CCC2C(C1)CCC3C2CCC(C3)CCCCC
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Product OPENEYE NAME: 2-bromo-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-bromo-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-bromo-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-bromanyl-7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C18H31Br
MOLECULAR WEIGHT: 327.34274
SMILES: CCCCC1CCC2C(C1)CCC3C2CCC(C3)Br
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Product OPENEYE NAME: 2-propoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-propoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-propoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-propoxy-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C20H36O
MOLECULAR WEIGHT: 292.49924
SMILES: CCCC1CCC2C(C1)CCC3C2CCC(C3)OCCC
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All Chemical Compounds Information

Product OPENEYE NAME: 10-methylundecyl benzenesulfonate
CAS Name: benzenesulfonic acid 10-methylundecyl ester
IUPAC NAME: 10-methylundecyl benzenesulfonate
SYSTEMATIC NAME: 10-methylundecyl benzenesulfonate
MOLECULAR FORMULA: C18H30O3S
MOLECULAR WEIGHT: 326.494
SMILES: CC(C)CCCCCCCCCOS(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 16-methylheptadecyl p-tolylmethanesulfonate
CAS Name: (4-methylphenyl)methanesulfonic acid 16-methylheptadecyl ester
IUPAC NAME: 16-methylheptadecyl (4-methylphenyl)methanesulfonate
SYSTEMATIC NAME: 16-methylheptadecyl (4-methylphenyl)methanesulfonate
MOLECULAR FORMULA: C26H46O3S
MOLECULAR WEIGHT: 438.70664
SMILES: CC1=CC=C(C=C1)CS(=O)(=O)OCCCCCCCCCCCCCCCC(C)C
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Product OPENEYE NAME: 2-octadecylphenolate
CAS Name: 2-octadecylphenolate
IUPAC NAME: 2-octadecylphenolate
SYSTEMATIC NAME: 2-octadecylphenolate
MOLECULAR FORMULA: C24H41O-
MOLECULAR WEIGHT: 345.58174
SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1[O-]
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Product OPENEYE NAME: 17-methyl-1-(o-tolyl)octadecane-1-sulfonate
CAS Name: 17-methyl-1-(2-methylphenyl)-1-octadecanesulfonate
IUPAC NAME: 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonate
SYSTEMATIC NAME: 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonate
MOLECULAR FORMULA: C26H45O3S-
MOLECULAR WEIGHT: 437.6987
SMILES: CC1=CC=CC=C1C(CCCCCCCCCCCCCCCC(C)C)S(=O)(=O)[O-]
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Product OPENEYE NAME: 17-methyl-1-(o-tolyl)octadecane-1-sulfonic acid
CAS Name: 17-methyl-1-(2-methylphenyl)-1-octadecanesulfonic acid
IUPAC NAME: 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonic acid
SYSTEMATIC NAME: 17-methyl-1-(2-methylphenyl)octadecane-1-sulfonic acid
MOLECULAR FORMULA: C26H46O3S
MOLECULAR WEIGHT: 438.70664
SMILES: CC1=CC=CC=C1C(CCCCCCCCCCCCCCCC(C)C)S(=O)(=O)O
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Product OPENEYE NAME: 2,2-dimethylbutane; heptanoate
CAS Name: 2,2-dimethylbutane; heptanoate
IUPAC NAME: 2,2-dimethylbutane; heptanoate
SYSTEMATIC NAME: 2,2-dimethylbutane; heptanoate
MOLECULAR FORMULA: C13H27O2-
MOLECULAR WEIGHT: 215.35228
SMILES: CCCCCCC(=O)[O-].CCC(C)(C)C
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Product OPENEYE NAME: 3-hydroxypropyl($l^{1}-silanyloxy)silicon
CAS Name: 3-hydroxypropyl($l^{1}-silanyloxy)silicon
IUPAC NAME: 3-hydroxypropyl($l^{1}-silanyloxy)silicon
SYSTEMATIC NAME: $l^{1}-silanyloxy(3-oxidanylpropyl)silicon
MOLECULAR FORMULA: C3H7O2Si2
MOLECULAR WEIGHT: 131.25748
SMILES: C(CO)C[Si]O[Si]
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Product OPENEYE NAME: 2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CAS Name: 2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
IUPAC NAME: 2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
SYSTEMATIC NAME: 2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
MOLECULAR FORMULA: C27H48O7
MOLECULAR WEIGHT: 484.66582
SMILES: CCCCCCCCCOCCOCCOCCOCCOCCOCCOC1=CC=CC=C1
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Product OPENEYE NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
CAS Name: (E)-9-octadecenoic acid 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
MOLECULAR FORMULA: C54H106O20
MOLECULAR WEIGHT: 1075.40744
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
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Product OPENEYE NAME: S-[2-(1,3-benzothiazol-2-yl)-1,1-dimethyl-ethyl]thiohydroxylamine
CAS Name: S-[1-(1,3-benzothiazol-2-yl)-2-methylpropan-2-yl]thiohydroxylamine
IUPAC NAME: S-[1-(1,3-benzothiazol-2-yl)-2-methylpropan-2-yl]thiohydroxylamine
SYSTEMATIC NAME: S-[1-(1,3-benzothiazol-2-yl)-2-methyl-propan-2-yl]thiohydroxylamine
MOLECULAR FORMULA: C11H14N2S2
MOLECULAR WEIGHT: 238.37226
SMILES: CC(C)(CC1=NC2=CC=CC=C2S1)SN
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Product OPENEYE NAME: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
CAS Name: (E)-9-octadecenoic acid 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (E)-octadec-9-enoate
MOLECULAR FORMULA: C34H66O10
MOLECULAR WEIGHT: 634.88184
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
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Product OPENEYE NAME: S-[3-(1,3-benzothiazol-2-yl)morpholin-4-yl]thiohydroxylamine
CAS Name: S-[3-(1,3-benzothiazol-2-yl)-4-morpholinyl]thiohydroxylamine
IUPAC NAME: S-[3-(1,3-benzothiazol-2-yl)morpholin-4-yl]thiohydroxylamine
SYSTEMATIC NAME: S-[3-(1,3-benzothiazol-2-yl)morpholin-4-yl]thiohydroxylamine
MOLECULAR FORMULA: C11H13N3OS2
MOLECULAR WEIGHT: 267.37042
SMILES: C1COCC(N1SN)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
CAS Name: 7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
IUPAC NAME: 7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
SYSTEMATIC NAME: 7-butyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonitrile
MOLECULAR FORMULA: C19H31N
MOLECULAR WEIGHT: 273.45614
SMILES: CCCCC1CCC2C(C1)CCC3C2CCC(C3)C#N
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Product OPENEYE NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
CAS Name: butanoic acid (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
SYSTEMATIC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CCC
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Product OPENEYE NAME: 2,7-diethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2,7-diethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2,7-diethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2,7-diethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C18H32
MOLECULAR WEIGHT: 248.44668
SMILES: CCC1CCC2C(C1)CCC3C2CCC(C3)CC
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Product OPENEYE NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
CAS Name: nonanoic acid (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
SYSTEMATIC NAME: (7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) nonanoate
MOLECULAR FORMULA: C31H56O2
MOLECULAR WEIGHT: 460.77514
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CCCCCCCC
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Product OPENEYE NAME: 2-bromo-7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-bromo-7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-bromo-7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-bromanyl-7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C21H37Br
MOLECULAR WEIGHT: 369.42248
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Br
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Product OPENEYE NAME: 2-hexyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-hexyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-hexyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-hexyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C23H42O
MOLECULAR WEIGHT: 334.57898
SMILES: CCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCC
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Product OPENEYE NAME: 2-bromo-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-bromo-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-bromo-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-bromanyl-7-octyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C22H39Br
MOLECULAR WEIGHT: 383.44906
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)Br
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Product OPENEYE NAME: 2-heptyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2-heptyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2-heptyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2-heptyl-7-propoxy-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C24H44O
MOLECULAR WEIGHT: 348.60556
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OCCC
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Product OPENEYE NAME: 2,7-dioctyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CAS Name: 2,7-dioctyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
IUPAC NAME: 2,7-dioctyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
SYSTEMATIC NAME: 2,7-dioctyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
MOLECULAR FORMULA: C30H56
MOLECULAR WEIGHT: 416.76564
SMILES: CCCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)CCCCCCCC
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Product OPENEYE NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) pentanoate
CAS Name: pentanoic acid (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) pentanoate
SYSTEMATIC NAME: (7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) pentanoate
MOLECULAR FORMULA: C22H38O2
MOLECULAR WEIGHT: 334.53592
SMILES: CCCCC(=O)OC1CCC2C(C1)CCC3C2CCC(C3)CCC
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Product OPENEYE NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
CAS Name: butanoic acid (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) ester
IUPAC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
SYSTEMATIC NAME: (7-heptyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl) butanoate
MOLECULAR FORMULA: C25H44O2
MOLECULAR WEIGHT: 376.61566
SMILES: CCCCCCCC1CCC2C(C1)CCC3C2CCC(C3)OC(=O)CCC
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All Chemical Compounds Information

Product OPENEYE NAME: 1-(1-iodopentyl)thioxanthen-9-one
CAS Name: 1-(1-iodopentyl)-9-thioxanthenone
IUPAC NAME: 1-(1-iodopentyl)thioxanthen-9-one
SYSTEMATIC NAME: 1-(1-iodanylpentyl)thioxanthen-9-one
MOLECULAR FORMULA: C18H17IOS
MOLECULAR WEIGHT: 408.29645
SMILES: CCCCC(C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O)I
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Product OPENEYE NAME: 1-(2-iodopentyl)thioxanthen-9-one
CAS Name: 1-(2-iodopentyl)-9-thioxanthenone
IUPAC NAME: 1-(2-iodopentyl)thioxanthen-9-one
SYSTEMATIC NAME: 1-(2-iodanylpentyl)thioxanthen-9-one
MOLECULAR FORMULA: C18H17IOS
MOLECULAR WEIGHT: 408.29645
SMILES: CCCC(CC1=C2C(=CC=C1)SC3=CC=CC=C3C2=O)I
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Product OPENEYE NAME: 2-butylthioxanthen-9-one
CAS Name: 2-butyl-9-thioxanthenone
IUPAC NAME: 2-butylthioxanthen-9-one
SYSTEMATIC NAME: 2-butylthioxanthen-9-one
MOLECULAR FORMULA: C17H16OS
MOLECULAR WEIGHT: 268.37334
SMILES: CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-sec-butylthioxanthen-9-one
CAS Name: 2-butan-2-yl-9-thioxanthenone
IUPAC NAME: 2-butan-2-ylthioxanthen-9-one
SYSTEMATIC NAME: 2-butan-2-ylthioxanthen-9-one
MOLECULAR FORMULA: C17H16OS
MOLECULAR WEIGHT: 268.37334
SMILES: CCC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-pentylthioxanthen-9-one
CAS Name: 2-pentyl-9-thioxanthenone
IUPAC NAME: 2-pentylthioxanthen-9-one
SYSTEMATIC NAME: 2-pentylthioxanthen-9-one
MOLECULAR FORMULA: C18H18OS
MOLECULAR WEIGHT: 282.39992
SMILES: CCCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-hydroxy-2-methyl-1-phenyl-pentan-1-one
CAS Name: 2-hydroxy-2-methyl-1-phenyl-1-pentanone
IUPAC NAME: 2-hydroxy-2-methyl-1-phenylpentan-1-one
SYSTEMATIC NAME: 2-methyl-2-oxidanyl-1-phenyl-pentan-1-one
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CCCC(C)(C(=O)C1=CC=CC=C1)O
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Product OPENEYE NAME: 2-hexylthioxanthen-9-one
CAS Name: 2-hexyl-9-thioxanthenone
IUPAC NAME: 2-hexylthioxanthen-9-one
SYSTEMATIC NAME: 2-hexylthioxanthen-9-one
MOLECULAR FORMULA: C19H20OS
MOLECULAR WEIGHT: 296.4265
SMILES: CCCCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
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Product OPENEYE NAME: ammonium 8-methyl-1-(p-tolyl)nonane-1-sulfonate
CAS Name: ammonium 8-methyl-1-(4-methylphenyl)-1-nonanesulfonate
IUPAC NAME: azanium 8-methyl-1-(4-methylphenyl)nonane-1-sulfonate
SYSTEMATIC NAME: azanium 8-methyl-1-(4-methylphenyl)nonane-1-sulfonate
MOLECULAR FORMULA: C17H31NO3S
MOLECULAR WEIGHT: 329.49794
SMILES: CC1=CC=C(C=C1)C(CCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]
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Product OPENEYE NAME: 8-methyl-1-(p-tolyl)nonane-1-sulfonic acid
CAS Name: 8-methyl-1-(4-methylphenyl)-1-nonanesulfonic acid
IUPAC NAME: 8-methyl-1-(4-methylphenyl)nonane-1-sulfonic acid
SYSTEMATIC NAME: 8-methyl-1-(4-methylphenyl)nonane-1-sulfonic acid
MOLECULAR FORMULA: C17H28O3S
MOLECULAR WEIGHT: 312.46742
SMILES: CC1=CC=C(C=C1)C(CCCCCCC(C)C)S(=O)(=O)O
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All Chemical Compounds Information

Product OPENEYE NAME: 4-amino-2-[bis[1-(dodecylamino)propyl]amino]-4-oxo-butanoic acid
CAS Name: 4-amino-2-[bis[1-(dodecylamino)propyl]amino]-4-oxobutanoic acid
IUPAC NAME: 4-amino-2-[bis[1-(dodecylamino)propyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-[bis[1-(dodecylamino)propyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C34H70N4O3
MOLECULAR WEIGHT: 582.9446
SMILES: CCCCCCCCCCCCNC(CC)N(C(CC)NCCCCCCCCCCCC)C(CC(=O)N)C(=O)O
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Product OPENEYE NAME: 2-[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,3-dien-1-yl]oxybutanoic acid
CAS Name: 2-[[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,3-dienyl]oxy]butanoic acid
IUPAC NAME: 2-[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,3-dien-1-yl]oxybutanoic acid
SYSTEMATIC NAME: 2-[(5Z)-5-[3,5-bis(chloranyl)-1H-pyridin-2-ylidene]-2-chloranyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxybutanoic acid
MOLECULAR FORMULA: C15H12Cl3NO4
MOLECULAR WEIGHT: 376.61908
SMILES: CCC(C(=O)O)OC1=C(C=C/C(=C/2\C(=CC(=CN2)Cl)Cl)/C1=O)Cl
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Product OPENEYE NAME: 2-[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
CAS Name: 2-[[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,3-dienyl]oxy]propanoic acid
IUPAC NAME: 2-[(5Z)-2-chloro-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,3-dien-1-yl]oxypropanoic acid
SYSTEMATIC NAME: 2-[(5Z)-5-[3,5-bis(chloranyl)-1H-pyridin-2-ylidene]-2-chloranyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
MOLECULAR FORMULA: C14H10Cl3NO4
MOLECULAR WEIGHT: 362.5925
SMILES: CC(C(=O)O)OC1=C(C=C/C(=C/2\C(=CC(=CN2)Cl)Cl)/C1=O)Cl
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Product OPENEYE NAME: 2-[(5Z)-2-bromo-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
CAS Name: 2-[[(5Z)-2-bromo-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,3-dienyl]oxy]propanoic acid
IUPAC NAME: 2-[(5Z)-2-bromo-5-(3,5-dichloro-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,3-dien-1-yl]oxypropanoic acid
SYSTEMATIC NAME: 2-[(5Z)-5-[3,5-bis(chloranyl)-1H-pyridin-2-ylidene]-2-bromanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxypropanoic acid
MOLECULAR FORMULA: C14H10BrCl2NO4
MOLECULAR WEIGHT: 407.0435
SMILES: CC(C(=O)O)OC1=C(C=C/C(=C/2\C(=CC(=CN2)Cl)Cl)/C1=O)Br
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Product OPENEYE NAME: 2-[(5Z)-5-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-2-nitro-6-oxo-cyclohexa-1,3-dien-1-yl]oxybutanoic acid
CAS Name: 2-[[(5Z)-5-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-2-nitro-6-oxo-1-cyclohexa-1,3-dienyl]oxy]butanoic acid
IUPAC NAME: 2-[(5Z)-5-[3-chloro-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-2-nitro-6-oxocyclohexa-1,3-dien-1-yl]oxybutanoic acid
SYSTEMATIC NAME: 2-[(5Z)-5-[3-chloranyl-5-(trifluoromethyl)-1H-pyridin-2-ylidene]-2-nitro-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxybutanoic acid
MOLECULAR FORMULA: C16H12ClF3N2O6
MOLECULAR WEIGHT: 420.72449
SMILES: CCC(C(=O)O)OC1=C(C=C/C(=C/2\C(=CC(=CN2)C(F)(F)F)Cl)/C1=O)[N+](=O)[O-]
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Product OPENEYE NAME: 3,4-dihydro-1,2-benzodioxin-5-yl N-methylcarbamate
CAS Name: N-methylcarbamic acid 3,4-dihydro-1,2-benzodioxin-5-yl ester
IUPAC NAME: 3,4-dihydro-1,2-benzodioxin-5-yl N-methylcarbamate
SYSTEMATIC NAME: 3,4-dihydro-1,2-benzodioxin-5-yl N-methylcarbamate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CNC(=O)OC1=CC=CC2=C1CCOO2
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Product OPENEYE NAME: N-[4-chloro-2-(4-chlorophenyl)sulfonyl-phenyl]carbamate
CAS Name: N-[4-chloro-2-(4-chlorophenyl)sulfonylphenyl]carbamate
IUPAC NAME: N-[4-chloro-2-(4-chlorophenyl)sulfonylphenyl]carbamate
SYSTEMATIC NAME: N-[4-chloranyl-2-(4-chlorophenyl)sulfonyl-phenyl]carbamate
MOLECULAR FORMULA: C13H8Cl2NO4S-
MOLECULAR WEIGHT: 345.17792
SMILES: C1=CC(=CC=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)[O-])Cl
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Product OPENEYE NAME: [4-chloro-2-(4-chlorophenyl)sulfonyl-phenyl]carbamic acid
CAS Name: [4-chloro-2-(4-chlorophenyl)sulfonylphenyl]carbamic acid
IUPAC NAME: [4-chloro-2-(4-chlorophenyl)sulfonylphenyl]carbamic acid
SYSTEMATIC NAME: [4-chloranyl-2-(4-chlorophenyl)sulfonyl-phenyl]carbamic acid
MOLECULAR FORMULA: C13H9Cl2NO4S
MOLECULAR WEIGHT: 346.18586
SMILES: C1=CC(=CC=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)O)Cl
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Product OPENEYE NAME: N-cyclohexa-1,5-dien-1-yl-3,3-dimethyl-butanamide
CAS Name: N-(1-cyclohexa-1,5-dienyl)-3,3-dimethylbutanamide
IUPAC NAME: N-cyclohexa-1,5-dien-1-yl-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-cyclohexa-1,5-dien-1-yl-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CC(C)(C)CC(=O)NC1=CCCC=C1
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Product OPENEYE NAME: 1,4-di(tetrahydropyran-2-yl)butan-2-ol
CAS Name: 1,4-bis(2-oxanyl)-2-butanol
IUPAC NAME: 1,4-bis(oxan-2-yl)butan-2-ol
SYSTEMATIC NAME: 1,4-bis(oxan-2-yl)butan-2-ol
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: C1CCOC(C1)CCC(CC2CCCCO2)O
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Product OPENEYE NAME: 1,4-di(tetrahydrofuran-2-yl)butan-2-ol
CAS Name: 1,4-bis(2-oxolanyl)-2-butanol
IUPAC NAME: 1,4-bis(oxolan-2-yl)butan-2-ol
SYSTEMATIC NAME: 1,4-bis(oxolan-2-yl)butan-2-ol
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: C1CC(OC1)CCC(CC2CCCO2)O
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Product OPENEYE NAME: 1-propylsulfanylxanthen-9-one
CAS Name: 1-(propylthio)-9-xanthenone
IUPAC NAME: 1-propylsulfanylxanthen-9-one
SYSTEMATIC NAME: 1-propylsulfanylxanthen-9-one
MOLECULAR FORMULA: C16H14O2S
MOLECULAR WEIGHT: 270.34616
SMILES: CCCSC1=CC=CC2=C1C(=O)C3=CC=CC=C3O2
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Product OPENEYE NAME: xanthen-9-one
CAS Name: 9-xanthenone
IUPAC NAME: xanthen-9-one
SYSTEMATIC NAME: xanthen-9-one
MOLECULAR FORMULA: C26H16O4
MOLECULAR WEIGHT: 392.40284
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
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All Chemical Compounds Information

Product OPENEYE NAME: 2-(2-hydroxyphenoxy)propanedial
CAS Name: 2-(2-hydroxyphenoxy)propanedial
IUPAC NAME: 2-(2-hydroxyphenoxy)propanedial
SYSTEMATIC NAME: 2-(2-oxidanylphenoxy)propanedial
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC=C(C(=C1)O)OC(C=O)C=O
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Product OPENEYE NAME: bismuth magnesium nitrate
CAS Name: bismuth magnesium nitrate
IUPAC NAME: bismuth magnesium nitrate
SYSTEMATIC NAME: bismuth magnesium nitrate
MOLECULAR FORMULA: BiMgNO3+4
MOLECULAR WEIGHT: 295.29028
SMILES: [N+](=O)([O-])[O-].[Mg+2].[Bi+3]
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Product OPENEYE NAME: 2-hydroxy-1-methoxy-cyclohexa-3,5-diene-1,3-dicarbaldehyde
CAS Name: 2-hydroxy-1-methoxycyclohexa-3,5-diene-1,3-dicarboxaldehyde
IUPAC NAME: 2-hydroxy-1-methoxycyclohexa-3,5-diene-1,3-dicarbaldehyde
SYSTEMATIC NAME: 1-methoxy-2-oxidanyl-cyclohexa-3,5-diene-1,3-dicarbaldehyde
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1(C=CC=C(C1O)C=O)C=O
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Product OPENEYE NAME: 4-hydroxybenzene-1,2,3-tricarbaldehyde
CAS Name: 4-hydroxybenzene-1,2,3-tricarboxaldehyde
IUPAC NAME: 4-hydroxybenzene-1,2,3-tricarbaldehyde
SYSTEMATIC NAME: 4-oxidanylbenzene-1,2,3-tricarbaldehyde
MOLECULAR FORMULA: C9H6O4
MOLECULAR WEIGHT: 178.14154
SMILES: C1=CC(=C(C(=C1C=O)C=O)C=O)O
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Product OPENEYE NAME: 4-hydroxy-3-methoxy-phthalaldehyde
CAS Name: 4-hydroxy-3-methoxyphthalaldehyde
IUPAC NAME: 4-hydroxy-3-methoxyphthalaldehyde
SYSTEMATIC NAME: 3-methoxy-4-oxidanyl-phthalaldehyde
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: COC1=C(C=CC(=C1C=O)C=O)O
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Product OPENEYE NAME: (3-hydroxy-2-methoxy-phenyl)methanediol
CAS Name: (3-hydroxy-2-methoxyphenyl)methanediol
IUPAC NAME: (3-hydroxy-2-methoxyphenyl)methanediol
SYSTEMATIC NAME: (2-methoxy-3-oxidanyl-phenyl)methanediol
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: COC1=C(C=CC=C1O)C(O)O
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Product OPENEYE NAME: cobaltous; hydride; lanthanum(3+)
CAS Name: cobalt(2+); hydride; lanthanum(3+)
IUPAC NAME: cobalt(2+); hydride; lanthanum(3+)
SYSTEMATIC NAME: cobalt(2+); hydride; lanthanum(3+)
MOLECULAR FORMULA: CoH5La
MOLECULAR WEIGHT: 202.8784
SMILES: [H-].[H-].[H-].[H-].[H-].[Co+2].[La+3]
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Product OPENEYE NAME: furan-2-carbaldehyde; pyrrole
CAS Name: 2-furancarboxaldehyde; 1H-pyrrole
IUPAC NAME: furan-2-carbaldehyde; 1H-pyrrole
SYSTEMATIC NAME: furan-2-carbaldehyde; 1H-pyrrole
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CNC=C1.C1=COC(=C1)C=O
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Product OPENEYE NAME: (4-butylphenyl)-(4-heptoxyphenyl)diazene
CAS Name: (4-butylphenyl)-(4-heptoxyphenyl)diazene
IUPAC NAME: (4-butylphenyl)-(4-heptoxyphenyl)diazene
SYSTEMATIC NAME: (4-butylphenyl)-(4-heptoxyphenyl)diazene
MOLECULAR FORMULA: C23H32N2O
MOLECULAR WEIGHT: 352.51298
SMILES: CCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC
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Product OPENEYE NAME: 2-hydroxy-2-methoxyperoxy-1,2-diphenyl-ethanone
CAS Name: 2-hydroxy-2-methoxydioxy-1,2-diphenylethanone
IUPAC NAME: 2-hydroxy-2-methoxyperoxy-1,2-diphenylethanone
SYSTEMATIC NAME: 2-methoxyperoxy-2-oxidanyl-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COOOC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O
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All Chemical Compounds Information

Product OPENEYE NAME: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-cyano-benzoic acid
CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-cyanobenzoic acid
IUPAC NAME: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-cyanobenzoic acid
SYSTEMATIC NAME: 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-cyano-benzoic acid
MOLECULAR FORMULA: C15H7ClF3NO3
MOLECULAR WEIGHT: 341.66919
SMILES: CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)C#N)C(=O)O)F)F
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Product OPENEYE NAME: 2-chloro-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one chloride
CAS Name: 2-chloro-5-[2-(trifluoromethyl)phenoxy]-7-bicyclo[2.2.1]hepta-1(6),2,4-trienone chloride
IUPAC NAME: 2-chloro-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one chloride
SYSTEMATIC NAME: 2-chloranyl-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one chloride
MOLECULAR FORMULA: C14H6Cl2F3O2-
MOLECULAR WEIGHT: 334.09745
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=C3C=C(C(=C2)C3=O)Cl.[Cl-]
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Product OPENEYE NAME: 2-chloro-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one
CAS Name: 2-chloro-5-[2-(trifluoromethyl)phenoxy]-7-bicyclo[2.2.1]hepta-1(6),2,4-trienone
IUPAC NAME: 2-chloro-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one
SYSTEMATIC NAME: 2-chloranyl-5-[2-(trifluoromethyl)phenoxy]bicyclo[2.2.1]hepta-1(6),2,4-trien-7-one
MOLECULAR FORMULA: C14H6ClF3O2
MOLECULAR WEIGHT: 298.64445
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=C3C=C(C(=C2)C3=O)Cl
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Product OPENEYE NAME: phenyl 3-chloro-2-nitro-4-(trifluoromethyl)benzenecarboperoxoate
CAS Name: 3-chloro-2-nitro-4-(trifluoromethyl)benzenecarboperoxoic acid phenyl ester
IUPAC NAME: phenyl 3-chloro-2-nitro-4-(trifluoromethyl)benzenecarboperoxoate
SYSTEMATIC NAME: phenyl 3-chloranyl-2-nitro-4-(trifluoromethyl)benzenecarboperoxoate
MOLECULAR FORMULA: C14H7ClF3NO5
MOLECULAR WEIGHT: 361.65729
SMILES: C1=CC=C(C=C1)OOC(=O)C2=C(C(=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (3-hydroxy-2-methyl-propyl) 4-acetoxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 4-acetyloxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-hydroxy-2-methylpropyl) ester
IUPAC NAME: (3-hydroxy-2-methylpropyl) 4-acetyloxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: (2-methyl-3-oxidanyl-propyl) 4-acetyloxy-3-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H16Cl2F3NO8
MOLECULAR WEIGHT: 526.24415
SMILES: CC(CO)COC(=O)C1=CC(=C(C(=C1[N+](=O)[O-])Cl)OC(=O)C)OC2=C(C=C(C=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: 2,3-dianilinoterephthalate
CAS Name: 2,3-dianilinoterephthalate
IUPAC NAME: 2,3-dianilinoterephthalate
SYSTEMATIC NAME: 2,3-bis(phenylazanyl)terephthalate
MOLECULAR FORMULA: C20H14N2O4-2
MOLECULAR WEIGHT: 346.33616
SMILES: C1=CC=C(C=C1)NC2=C(C=CC(=C2NC3=CC=CC=C3)C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 2,3-dianilinoterephthalic acid
CAS Name: 2,3-dianilinoterephthalic acid
IUPAC NAME: 2,3-dianilinoterephthalic acid
SYSTEMATIC NAME: 2,3-bis(phenylazanyl)terephthalic acid
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C1=CC=C(C=C1)NC2=C(C=CC(=C2NC3=CC=CC=C3)C(=O)O)C(=O)O
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Product OPENEYE NAME: 2,3-dianilino-5,6-dichloro-terephthalic acid
CAS Name: 2,3-dianilino-5,6-dichloroterephthalic acid
IUPAC NAME: 2,3-dianilino-5,6-dichloroterephthalic acid
SYSTEMATIC NAME: 2,3-bis(chloranyl)-5,6-bis(phenylazanyl)terephthalic acid
MOLECULAR FORMULA: C20H14Cl2N2O4
MOLECULAR WEIGHT: 417.24216
SMILES: C1=CC=C(C=C1)NC2=C(C(=C(C(=C2NC3=CC=CC=C3)C(=O)O)Cl)Cl)C(=O)O
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Product OPENEYE NAME: dimethyl 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylate
CAS Name: 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 3,4-bis(phenylazanyl)cyclohexa-1,5-diene-1,4-dicarboxylate
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: COC(=O)C1=CC(C(C=C1)(C(=O)OC)NC2=CC=CC=C2)NC3=CC=CC=C3
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Product OPENEYE NAME: 2,3-bis(4-methylanilino)terephthalic acid
CAS Name: 2,3-bis(4-methylanilino)terephthalic acid
IUPAC NAME: 2,3-bis(4-methylanilino)terephthalic acid
SYSTEMATIC NAME: 2,3-bis[(4-methylphenyl)amino]terephthalic acid
MOLECULAR FORMULA: C22H20N2O4
MOLECULAR WEIGHT: 376.4052
SMILES: CC1=CC=C(C=C1)NC2=C(C=CC(=C2NC3=CC=C(C=C3)C)C(=O)O)C(=O)O
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Product OPENEYE NAME: 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylic acid
CAS Name: 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylic acid
IUPAC NAME: 3,4-dianilinocyclohexa-1,5-diene-1,4-dicarboxylic acid
SYSTEMATIC NAME: 3,4-bis(phenylazanyl)cyclohexa-1,5-diene-1,4-dicarboxylic acid
MOLECULAR FORMULA: C20H18N2O4
MOLECULAR WEIGHT: 350.36792
SMILES: C1=CC=C(C=C1)NC2C=C(C=CC2(C(=O)O)NC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 2-(2,3-dichloroanilino)terephthalic acid
CAS Name: 2-(2,3-dichloroanilino)terephthalic acid
IUPAC NAME: 2-(2,3-dichloroanilino)terephthalic acid
SYSTEMATIC NAME: 2-[[2,3-bis(chloranyl)phenyl]amino]terephthalic acid
MOLECULAR FORMULA: C14H9Cl2NO4
MOLECULAR WEIGHT: 326.13156
SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC2=C(C=CC(=C2)C(=O)O)C(=O)O
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Product OPENEYE NAME: [3-[2-(3-acetylperoxyphenyl)ethyl]phenyl] peroxyacetate
CAS Name: ethaneperoxoic acid [3-[2-(3-acetyldioxyphenyl)ethyl]phenyl] ester
IUPAC NAME: [3-[2-(3-acetylperoxyphenyl)ethyl]phenyl] ethaneperoxoate
SYSTEMATIC NAME: [3-[2-(3-ethanoylperoxyphenyl)ethyl]phenyl] ethaneperoxoate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: CC(=O)OOC1=CC=CC(=C1)CCC2=CC(=CC=C2)OOC(=O)C
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Product OPENEYE NAME: 2-(4-isobutylphenyl)propyl 3,4,5-trimethoxybenzoate
CAS Name: 3,4,5-trimethoxybenzoic acid 2-[4-(2-methylpropyl)phenyl]propyl ester
IUPAC NAME: 2-[4-(2-methylpropyl)phenyl]propyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 2-[4-(2-methylpropyl)phenyl]propyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CC(C)CC1=CC=C(C=C1)C(C)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC
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Product OPENEYE NAME: anthracene-1,5,9-tricarboxylic acid
CAS Name: anthracene-1,5,9-tricarboxylic acid
IUPAC NAME: anthracene-1,5,9-tricarboxylic acid
SYSTEMATIC NAME: anthracene-1,5,9-tricarboxylic acid
MOLECULAR FORMULA: C17H10O6
MOLECULAR WEIGHT: 310.2577
SMILES: C1=CC2=CC3=C(C=CC=C3C(=O)O)C(=C2C(=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid
CAS Name: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid
IUPAC NAME: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid
SYSTEMATIC NAME: 2,4-dibutylbenzene-1,3,5-tricarboxylic acid
MOLECULAR FORMULA: C17H22O6
MOLECULAR WEIGHT: 322.35298
SMILES: CCCCC1=C(C(=C(C=C1C(=O)O)C(=O)O)CCCC)C(=O)O
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Product OPENEYE NAME: 2-ethyl-4-hexyl-6-methyl-benzene-1,3-dicarboxylic acid
CAS Name: 2-ethyl-4-hexyl-6-methylbenzene-1,3-dicarboxylic acid
IUPAC NAME: 2-ethyl-4-hexyl-6-methylbenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 2-ethyl-4-hexyl-6-methyl-benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CCCCCCC1=C(C(=C(C(=C1)C)C(=O)O)CC)C(=O)O
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Product OPENEYE NAME: 4-[[4-hydroxy-2,3-bis(hydroxymethyl)phenyl]methyl]-2,3-bis(hydroxymethyl)phenol
CAS Name: 4-[[4-hydroxy-2,3-bis(hydroxymethyl)phenyl]methyl]-2,3-bis(hydroxymethyl)phenol
IUPAC NAME: 4-[[4-hydroxy-2,3-bis(hydroxymethyl)phenyl]methyl]-2,3-bis(hydroxymethyl)phenol
SYSTEMATIC NAME: 4-[[2,3-bis(hydroxymethyl)-4-oxidanyl-phenyl]methyl]-2,3-bis(hydroxymethyl)phenol
MOLECULAR FORMULA: C17H20O6
MOLECULAR WEIGHT: 320.3371
SMILES: C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)O)CO)CO)CO)CO)O
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Product OPENEYE NAME: 2,4,6-tris(hydroxymethyl)phenolate
CAS Name: 2,4,6-tris(hydroxymethyl)phenolate
IUPAC NAME: 2,4,6-tris(hydroxymethyl)phenolate
SYSTEMATIC NAME: 2,4,6-tris(hydroxymethyl)phenolate
MOLECULAR FORMULA: C9H11O4-
MOLECULAR WEIGHT: 183.18124
SMILES: C1=C(C=C(C(=C1CO)[O-])CO)CO
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All Chemical Compounds Information

Product OPENEYE NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxyethyl 3-amino-2,5-dichloro-benzoate
CAS Name: 3-amino-2,5-dichlorobenzoic acid 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]ethyl ester
IUPAC NAME: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyethyl 3-amino-2,5-dichlorobenzoate
SYSTEMATIC NAME: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxyethyl 3-azanyl-2,5-bis(chloranyl)benzoate
MOLECULAR FORMULA: C23H14Cl3F3N2O7
MOLECULAR WEIGHT: 593.72067
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOC(=O)C3=CC(=CC(=C3Cl)N)Cl
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Product OPENEYE NAME: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoate
CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoate
IUPAC NAME: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoate
SYSTEMATIC NAME: 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoate
MOLECULAR FORMULA: C16H10ClF3NO6-
MOLECULAR WEIGHT: 404.70191
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)[O-])CCO
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Product OPENEYE NAME: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid
CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoic acid
IUPAC NAME: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitrobenzoic acid
SYSTEMATIC NAME: 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-hydroxyethyl)-6-nitro-benzoic acid
MOLECULAR FORMULA: C16H11ClF3NO6
MOLECULAR WEIGHT: 405.70985
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(=O)O)CCO
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Product OPENEYE NAME: 2-(2,4-dichlorobenzoyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[(2,4-dichlorophenyl)-oxomethoxy]ethyl ester
IUPAC NAME: 2-(2,4-dichlorobenzoyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)carbonyloxyethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C23H13Cl3F3NO7
MOLECULAR WEIGHT: 578.70603
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (2-chloro-3,5,6-trifluoro-4-methyl-phenyl) 2-nitrobenzenecarboperoxoate
CAS Name: 2-nitrobenzenecarboperoxoic acid (2-chloro-3,5,6-trifluoro-4-methylphenyl) ester
IUPAC NAME: (2-chloro-3,5,6-trifluoro-4-methylphenyl) 2-nitrobenzenecarboperoxoate
SYSTEMATIC NAME: [2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenyl] 2-nitrobenzenecarboperoxoate
MOLECULAR FORMULA: C14H7ClF3NO5
MOLECULAR WEIGHT: 361.65729
SMILES: CC1=C(C(=C(C(=C1F)Cl)OOC(=O)C2=CC=CC=C2[N+](=O)[O-])F)F
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Product OPENEYE NAME: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoate
CAS Name: 2-[5-chloro-4-[dimethylamino(oxo)methoxy]-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoate
IUPAC NAME: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoate
SYSTEMATIC NAME: 2-[5-chloranyl-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoate
MOLECULAR FORMULA: C23H23ClF3N2O7-
MOLECULAR WEIGHT: 531.88613
SMILES: CCCCCCC1=C(C(=CC(=C1OC(=O)N(C)C)Cl)OC2=CC=CC(=C2C(=O)[O-])[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid
CAS Name: 2-[5-chloro-4-[dimethylamino(oxo)methoxy]-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoic acid
IUPAC NAME: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoic acid
SYSTEMATIC NAME: 2-[5-chloranyl-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid
MOLECULAR FORMULA: C23H24ClF3N2O7
MOLECULAR WEIGHT: 532.89407
SMILES: CCCCCCC1=C(C(=CC(=C1OC(=O)N(C)C)Cl)OC2=CC=CC(=C2C(=O)O)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)-N-methyl-2-nitro-benzamide
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)-N-methyl-2-nitrobenzamide
IUPAC NAME: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)-N-methyl-2-nitrobenzamide
SYSTEMATIC NAME: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)-N-methyl-2-nitro-benzamide
MOLECULAR FORMULA: C17H14ClF3N2O5
MOLECULAR WEIGHT: 418.75167
SMILES: CN(CCO)C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: S-[2-[3-carbamoyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethyl] N,N-dimethylcarbamothioate
CAS Name: N,N-dimethylcarbamothioic acid S-[2-[3-carbamoyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethyl] ester
IUPAC NAME: S-[2-[3-carbamoyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethyl] N,N-dimethylcarbamothioate
SYSTEMATIC NAME: S-[2-[3-aminocarbonyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethyl] N,N-dimethylcarbamothioate
MOLECULAR FORMULA: C19H17ClF3N3O5S
MOLECULAR WEIGHT: 491.86859
SMILES: CN(C)C(=O)SCCC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-acetoxyethyldisulfanyl)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(2-acetyloxyethyldisulfanyl)ethyl ester
IUPAC NAME: 2-(2-acetyloxyethyldisulfanyl)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(2-acetyloxyethyldisulfanyl)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H17ClF3NO7S2
MOLECULAR WEIGHT: 539.92969
SMILES: CC(=O)OCCSSCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-hydroxyethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(2-hydroxyethoxy)ethyl ester
IUPAC NAME: 2-(2-hydroxyethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(2-hydroxyethyloxy)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C18H15ClF3NO7
MOLECULAR WEIGHT: 449.76241
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOCCO
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Product OPENEYE NAME: ethyl 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-nitro-benzoate
CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoic acid ethyl ester
IUPAC NAME: ethyl 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoate
SYSTEMATIC NAME: ethyl 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C16H11ClF3NO5
MOLECULAR WEIGHT: 389.71045
SMILES: CCOC(=O)C1=C(C=CC(=C1)OC2=C(C(=C(C(=C2Cl)F)C)F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-methoxyacetyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(2-methoxy-1-oxoethoxy)ethyl ester
IUPAC NAME: 2-(2-methoxyacetyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(2-methoxyethanoyloxy)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C19H15ClF3NO8
MOLECULAR WEIGHT: 477.77251
SMILES: COCC(=O)OCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-benzoyloxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-benzoyloxyethyl ester
IUPAC NAME: 2-benzoyloxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(phenylcarbonyloxy)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C23H15ClF3NO7
MOLECULAR WEIGHT: 509.81591
SMILES: C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[2-[2-[2-(2-chloroacetyl)oxyethoxy]ethoxy]ethoxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[2-[2-[2-(2-chloro-1-oxoethoxy)ethoxy]ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-[2-(2-chloroacetyl)oxyethoxy]ethoxy]ethoxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-[2-[2-[2-(2-chloranylethanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C24H24Cl2F3NO10
MOLECULAR WEIGHT: 614.34927
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOCCOCCOCCOC(=O)CCl
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Product OPENEYE NAME: (2-chloro-4-methoxy-phenyl) 2-nitrobenzenecarboperoxoate
CAS Name: 2-nitrobenzenecarboperoxoic acid (2-chloro-4-methoxyphenyl) ester
IUPAC NAME: (2-chloro-4-methoxyphenyl) 2-nitrobenzenecarboperoxoate
SYSTEMATIC NAME: (2-chloranyl-4-methoxy-phenyl) 2-nitrobenzenecarboperoxoate
MOLECULAR FORMULA: C14H10ClNO6
MOLECULAR WEIGHT: 323.6853
SMILES: COC1=CC(=C(C=C1)OOC(=O)C2=CC=CC=C2[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-(3-chlorobenzoyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[(3-chlorophenyl)-oxomethoxy]ethyl ester
IUPAC NAME: 2-(3-chlorobenzoyl)oxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-(3-chlorophenyl)carbonyloxyethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C23H14Cl2F3NO7
MOLECULAR WEIGHT: 544.26097
SMILES: C1=CC(=CC(=C1)Cl)C(=O)OCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: pentyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid pentyl ester
IUPAC NAME: pentyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: pentyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C19H17ClF3NO5
MOLECULAR WEIGHT: 431.79019
SMILES: CCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-acetamidoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-acetamidoethyl ester
IUPAC NAME: 2-acetamidoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-acetamidoethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C18H14ClF3N2O6
MOLECULAR WEIGHT: 446.76177
SMILES: CC(=O)NCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-prop-2-enoyloxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(1-oxoprop-2-enoxy)ethyl ester
IUPAC NAME: 2-prop-2-enoyloxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-prop-2-enoyloxyethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C19H13ClF3NO7
MOLECULAR WEIGHT: 459.75723
SMILES: C=CC(=O)OCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [(E)-but-2-enyl] 4-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 4-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid [(E)-but-2-enyl] ester
IUPAC NAME: [(E)-but-2-enyl] 4-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: [(E)-but-2-enyl] 4-acetyloxy-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C20H15ClF3NO7
MOLECULAR WEIGHT: 473.78381
SMILES: C/C=C/COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC(=O)C)OC2=C(C=C(C=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: 2-[(3-chlorophenyl)carbamoyloxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[(3-chloroanilino)-oxomethoxy]ethyl ester
IUPAC NAME: 2-[(3-chlorophenyl)carbamoyloxy]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
SYSTEMATIC NAME: 2-[(3-chlorophenyl)carbamoyloxy]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
MOLECULAR FORMULA: C23H15Cl2F3N2O7
MOLECULAR WEIGHT: 559.27561
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)OCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-cyano-benzoate
CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-cyanobenzoate
IUPAC NAME: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-cyanobenzoate
SYSTEMATIC NAME: 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-cyano-benzoate
MOLECULAR FORMULA: C15H6ClF3NO3-
MOLECULAR WEIGHT: 340.66125
SMILES: CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)C#N)C(=O)[O-])F)F
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