Product OPENEYE NAME: 4-amino-3-methyl-phenol
CAS Name: 4-amino-3-methylphenol
IUPAC NAME: 4-amino-3-methylphenol
SYSTEMATIC NAME: 4-azanyl-3-methyl-phenol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=C(C=CC(=C1)O)N
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Product OPENEYE NAME: 3-amino-4-methyl-phenol
CAS Name: 3-amino-4-methylphenol
IUPAC NAME: 3-amino-4-methylphenol
SYSTEMATIC NAME: 3-azanyl-4-methyl-phenol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=C(C=C(C=C1)O)N
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Product OPENEYE NAME: 2-chloro-1,1,1,2-tetrafluoro-ethane
CAS Name: 2-chloro-1,1,1,2-tetrafluoroethane
IUPAC NAME: 2-chloro-1,1,1,2-tetrafluoroethane
SYSTEMATIC NAME: 2-chloranyl-1,1,1,2-tetrakis(fluoranyl)ethane
MOLECULAR FORMULA: C2HClF4
MOLECULAR WEIGHT: 136.475953
SMILES: C(C(F)(F)F)(F)Cl
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Product OPENEYE NAME: 3-amino-4-methoxy-benzoic acid
CAS Name: 3-amino-4-methoxybenzoic acid
IUPAC NAME: 3-amino-4-methoxybenzoic acid
SYSTEMATIC NAME: 3-azanyl-4-methoxy-benzoic acid
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COC1=C(C=C(C=C1)C(=O)O)N
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Product OPENEYE NAME: 2-methylfluoren-9-one
CAS Name: 2-methyl-9-fluorenone
IUPAC NAME: 2-methylfluoren-9-one
SYSTEMATIC NAME: 2-methylfluoren-9-one
MOLECULAR FORMULA: C14H10O
MOLECULAR WEIGHT: 194.2286
SMILES: CC1=CC2=C(C=C1)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2,2-dichloro-N-(p-tolyl)acetamide
CAS Name: 2,2-dichloro-N-(4-methylphenyl)acetamide
IUPAC NAME: 2,2-dichloro-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H9Cl2NO
MOLECULAR WEIGHT: 218.07986
SMILES: CC1=CC=C(C=C1)NC(=O)C(Cl)Cl
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Product OPENEYE NAME: 2-(2-phenylethylamino)ethanol
CAS Name: 2-(2-phenylethylamino)ethanol
IUPAC NAME: 2-(2-phenylethylamino)ethanol
SYSTEMATIC NAME: 2-(2-phenylethylamino)ethanol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: C1=CC=C(C=C1)CCNCCO
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Product OPENEYE NAME: 2-(cyclohexylamino)ethanol
CAS Name: 2-(cyclohexylamino)ethanol
IUPAC NAME: 2-(cyclohexylamino)ethanol
SYSTEMATIC NAME: 2-(cyclohexylamino)ethanol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: C1CCC(CC1)NCCO
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Product OPENEYE NAME: 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-12-oxidanylidene-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
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Product OPENEYE NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-12-oxidanylidene-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C
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Product OPENEYE NAME: (2-hydroxy-2-phenyl-butyl)ammonium chloride
CAS Name: (2-hydroxy-2-phenylbutyl)ammonium chloride
IUPAC NAME: (2-hydroxy-2-phenylbutyl)azanium chloride
SYSTEMATIC NAME: (2-oxidanyl-2-phenyl-butyl)azanium chloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CCC(C[NH3+])(C1=CC=CC=C1)O.[Cl-]
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