Product OPENEYE NAME: (3'R,3'aS,6aS,6bS,7'aR,9R,11aS)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
CAS Name: (3'R,3'aS,6aS,6bS,7'aR,9R,11aS)-3',6',10,11b-tetramethyl-3-spiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]ol
IUPAC NAME: (3'R,3'aS,6aS,6bS,7'aR,9R,11aS)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
SYSTEMATIC NAME: (3'R,3'aS,6aS,6bS,7'aR,9R,11aS)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
MOLECULAR FORMULA: C27H41NO2
MOLECULAR WEIGHT: 411.61994
SMILES: C[C@@H]1[C@H]2[C@@H](CC(CN2)C)O[C@]13CC[C@H]4[C@@H]5CC=C6CC(CCC6([C@H]5CC4=C3C)C)O
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Product OPENEYE NAME: (4-nitrophenyl)methyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H13NO5S
MOLECULAR WEIGHT: 307.32172
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium chloride
CAS Name: [9-(diethylamino)-5-benzo[a]phenoxazinylidene]-(phenylmethyl)ammonium chloride
IUPAC NAME: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium chloride
SYSTEMATIC NAME: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C27H26ClN3O
MOLECULAR WEIGHT: 443.96784
SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CC5=CC=CC=C5)C=C3O2.[Cl-]
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Product OPENEYE NAME: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium
CAS Name: [9-(diethylamino)-5-benzo[a]phenoxazinylidene]-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium
SYSTEMATIC NAME: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]-(phenylmethyl)azanium
MOLECULAR FORMULA: C27H26N3O+
MOLECULAR WEIGHT: 408.51484
SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CC5=CC=CC=C5)C=C3O2
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Product OPENEYE NAME: 2-phenylethyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid 2-phenylethyl ester
IUPAC NAME: 2-phenylethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-phenylethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H16O3S
MOLECULAR WEIGHT: 276.35074
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2
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Product OPENEYE NAME: N,N'-diphenylhexanediamide
CAS Name: N,N'-diphenylhexanediamide
IUPAC NAME: N,N'-diphenylhexanediamide
SYSTEMATIC NAME: N,N'-diphenylhexanediamide
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 3-methylpentane-1,5-diol
CAS Name: 3-methylpentane-1,5-diol
IUPAC NAME: 3-methylpentane-1,5-diol
SYSTEMATIC NAME: 3-methylpentane-1,5-diol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(CCO)CCO
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Product OPENEYE NAME: 2,4,5-trimethoxybenzaldehyde
CAS Name: 2,4,5-trimethoxybenzaldehyde
IUPAC NAME: 2,4,5-trimethoxybenzaldehyde
SYSTEMATIC NAME: 2,4,5-trimethoxybenzaldehyde
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC(=C(C=C1C=O)OC)OC
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Product OPENEYE NAME: N-hydroxy-N-(4-phenylphenyl)acetamide
CAS Name: N-hydroxy-N-(4-phenylphenyl)acetamide
IUPAC NAME: N-hydroxy-N-(4-phenylphenyl)acetamide
SYSTEMATIC NAME: N-oxidanyl-N-(4-phenylphenyl)ethanamide
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)O
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Product OPENEYE NAME: 1-(2-hydroxyethylamino)anthracene-9,10-dione
CAS Name: 1-(2-hydroxyethylamino)anthracene-9,10-dione
IUPAC NAME: 1-(2-hydroxyethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(2-hydroxyethylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCO
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Product OPENEYE NAME: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid; cyclohexanamine
CAS Name: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid; cyclohexanamine
IUPAC NAME: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid; cyclohexanamine
SYSTEMATIC NAME: bis(2-chloroethyl)amino-(3-oxidanylpropylamino)phosphinic acid; cyclohexanamine
MOLECULAR FORMULA: C13H30Cl2N3O3P
MOLECULAR WEIGHT: 378.275361
SMILES: C1CCC(CC1)N.C(CNP(=O)(N(CCCl)CCCl)O)CO
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Product OPENEYE NAME: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid
CAS Name: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid
IUPAC NAME: bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid
SYSTEMATIC NAME: bis(2-chloroethyl)amino-(3-oxidanylpropylamino)phosphinic acid
MOLECULAR FORMULA: C7H17Cl2N2O3P
MOLECULAR WEIGHT: 279.101241
SMILES: C(CNP(=O)(N(CCCl)CCCl)O)CO
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Product OPENEYE NAME: methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]ammonium chloride
CAS Name: methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]ammonium chloride
IUPAC NAME: methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azanium chloride
SYSTEMATIC NAME: methyl-[3-(6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azanium chloride
MOLECULAR FORMULA: C17H20ClN3O
MOLECULAR WEIGHT: 317.8132
SMILES: C[NH2+]CCCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O.[Cl-]
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Product OPENEYE NAME: 5-[3-(methylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
CAS Name: 5-[3-(methylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
IUPAC NAME: 5-[3-(methylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 5-[3-(methylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C17H19N3O
MOLECULAR WEIGHT: 281.35226
SMILES: CNCCCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O
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Product OPENEYE NAME: 2-butylfuran
CAS Name: 2-butylfuran
IUPAC NAME: 2-butylfuran
SYSTEMATIC NAME: 2-butylfuran
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCCCC1=CC=CO1
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Product OPENEYE NAME: N'-isopropylacetohydrazide
CAS Name: N'-propan-2-ylacetohydrazide
IUPAC NAME: N'-propan-2-ylacetohydrazide
SYSTEMATIC NAME: N'-propan-2-ylethanehydrazide
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CC(C)NNC(=O)C
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Product OPENEYE NAME: benzo[c]phenanthrene-5-carbaldehyde
CAS Name: 5-benzo[c]phenanthrenecarboxaldehyde
IUPAC NAME: benzo[c]phenanthrene-5-carbaldehyde
SYSTEMATIC NAME: benzo[c]phenanthrene-5-carbaldehyde
MOLECULAR FORMULA: C19H12O
MOLECULAR WEIGHT: 256.29798
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C(=C3)C=O
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Product OPENEYE NAME: 1,2,3,4-tetramethylphenanthrene
CAS Name: 1,2,3,4-tetramethylphenanthrene
IUPAC NAME: 1,2,3,4-tetramethylphenanthrene
SYSTEMATIC NAME: 1,2,3,4-tetramethylphenanthrene
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: CC1=C(C2=C(C(=C1C)C)C3=CC=CC=C3C=C2)C
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Product OPENEYE NAME: 3-[7-bromo-2-oxo-5-(2-pyridyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]propyl-dimethyl-ammonium dichloride
CAS Name: 3-[7-bromo-2-oxo-5-(2-pyridinyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]propyl-dimethylammonium dichloride
IUPAC NAME: 3-(7-bromo-2-oxo-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethylazanium dichloride
SYSTEMATIC NAME: 3-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethyl-azanium dichloride
MOLECULAR FORMULA: C19H23BrCl2N4O
MOLECULAR WEIGHT: 474.22212
SMILES: C[NH+](C)CCC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=N3)Br.[Cl-].[Cl-]
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Product OPENEYE NAME: 7-bromo-1-[3-(dimethylamino)propyl]-5-(2-pyridyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one
CAS Name: 7-bromo-1-[3-(dimethylamino)propyl]-5-(2-pyridinyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one
IUPAC NAME: 7-bromo-1-[3-(dimethylamino)propyl]-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one
SYSTEMATIC NAME: 7-bromanyl-1-[3-(dimethylamino)propyl]-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one
MOLECULAR FORMULA: C19H22BrN4O+
MOLECULAR WEIGHT: 402.30818
SMILES: CN(C)CCC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=N3)Br
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