Product OPENEYE NAME: 2-ethylbutyl prop-2-enoate
CAS Name: 2-propenoic acid 2-ethylbutyl ester
IUPAC NAME: 2-ethylbutyl prop-2-enoate
SYSTEMATIC NAME: 2-ethylbutyl prop-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CCC(CC)COC(=O)C=C
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Product OPENEYE NAME: N-[1-(hydrazinecarbonyl)-2-methyl-4-phenyl-butyl]acetamide
CAS Name: N-(1-hydrazinyl-3-methyl-1-oxo-5-phenylpentan-2-yl)acetamide
IUPAC NAME: N-(1-hydrazinyl-3-methyl-1-oxo-5-phenylpentan-2-yl)acetamide
SYSTEMATIC NAME: N-(1-diazanyl-3-methyl-1-oxidanylidene-5-phenyl-pentan-2-yl)ethanamide
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: CC(CCC1=CC=CC=C1)C(C(=O)NN)NC(=O)C
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Product OPENEYE NAME: disodium 4-amino-5-hydroxy-naphthalene-2,7-disulfonate
CAS Name: disodium 4-amino-5-hydroxynaphthalene-2,7-disulfonate
IUPAC NAME: disodium 4-amino-5-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C10H7NNa2O7S2
MOLECULAR WEIGHT: 363.27462
SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 4-bromo-2-chloro-phenol
CAS Name: 4-bromo-2-chlorophenol
IUPAC NAME: 4-bromo-2-chlorophenol
SYSTEMATIC NAME: 4-bromanyl-2-chloranyl-phenol
MOLECULAR FORMULA: C6H4BrClO
MOLECULAR WEIGHT: 207.45236
SMILES: C1=CC(=C(C=C1Br)Cl)O
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Product OPENEYE NAME: 3-chloro-4-hydroxy-benzoic acid
CAS Name: 3-chloro-4-hydroxybenzoic acid
IUPAC NAME: 3-chloro-4-hydroxybenzoic acid
SYSTEMATIC NAME: 3-chloranyl-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5ClO3
MOLECULAR WEIGHT: 172.5658
SMILES: C1=CC(=C(C=C1C(=O)O)Cl)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2
MOLECULAR WEIGHT: 290.40208
SMILES: CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1
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Product OPENEYE NAME: (2-butoxy-1-methyl-ethyl) 2-(2,4-dichlorophenoxy)acetate
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid 1-butoxypropan-2-yl ester
IUPAC NAME: 1-butoxypropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: 1-butoxypropan-2-yl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C15H20Cl2O4
MOLECULAR WEIGHT: 335.2229
SMILES: CCCCOCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
CAS Name: 3-phenylpropanoic acid 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl ester
IUPAC NAME: 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
SYSTEMATIC NAME: 3-[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
MOLECULAR FORMULA: C31H36O4
MOLECULAR WEIGHT: 472.61514
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CCOC(=O)CCC4=CC=CC=C4)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: N-oxido-3-phenyl-prop-2-enamide
CAS Name: N-oxido-3-phenyl-2-propenamide
IUPAC NAME: N-oxido-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-oxidanidyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C9H8NO2-
MOLECULAR WEIGHT: 162.16532
SMILES: C1=CC=C(C=C1)C=CC(=O)N[O-]
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Product OPENEYE NAME: 2-[7-bromo-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethyl-ammonium chloride
CAS Name: 2-[7-bromo-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethylammonium chloride
IUPAC NAME: 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C20H24BrClN4O
MOLECULAR WEIGHT: 451.78776
SMILES: CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-]
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Product OPENEYE NAME: 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one
CAS Name: 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-bromo-1-[2-(diethylamino)ethyl]-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-bromanyl-1-[2-(diethylamino)ethyl]-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C20H23BrN4O
MOLECULAR WEIGHT: 415.32682
SMILES: CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3
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Product OPENEYE NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CAS Name: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
IUPAC NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC1CC(=O)NC2=CC=CC=C2N1
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Product OPENEYE NAME: 4,5-dichloro-1,3-dioxolan-2-one
CAS Name: 4,5-dichloro-1,3-dioxolan-2-one
IUPAC NAME: 4,5-dichloro-1,3-dioxolan-2-one
SYSTEMATIC NAME: 4,5-bis(chloranyl)-1,3-dioxolan-2-one
MOLECULAR FORMULA: C3H2Cl2O3
MOLECULAR WEIGHT: 156.95218
SMILES: C1(C(OC(=O)O1)Cl)Cl
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Product OPENEYE NAME: 2-chloro-3-nitro-benzoic acid
CAS Name: 2-chloro-3-nitrobenzoic acid
IUPAC NAME: 2-chloro-3-nitrobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H4ClNO4
MOLECULAR WEIGHT: 201.56396
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
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Product OPENEYE NAME: 2,2-dimethylpentan-3-ol
CAS Name: 2,2-dimethyl-3-pentanol
IUPAC NAME: 2,2-dimethylpentan-3-ol
SYSTEMATIC NAME: 2,2-dimethylpentan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(C(C)(C)C)O
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Product OPENEYE NAME: 2-ethyloctanedioic acid
CAS Name: 2-ethyloctanedioic acid
IUPAC NAME: 2-ethyloctanedioic acid
SYSTEMATIC NAME: 2-ethyloctanedioic acid
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CCC(CCCCCC(=O)O)C(=O)O
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Product OPENEYE NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2,3,4-trimethylphenyl) ester
IUPAC NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1=C(C(=C(C=C1)OC(=O)NC)C)C
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Product OPENEYE NAME: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
CAS Name: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
IUPAC NAME: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
SYSTEMATIC NAME: 1-iodanyl-4-[2,2,2-tris(chloranyl)-1-(4-iodophenyl)ethyl]benzene
MOLECULAR FORMULA: C14H9Cl3I2
MOLECULAR WEIGHT: 537.3892
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)I)C(Cl)(Cl)Cl)I
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