Product OPENEYE NAME: 3-(3-aminophenyl)sulfonylaniline
CAS Name: 3-(3-aminophenyl)sulfonylaniline
IUPAC NAME: 3-(3-aminophenyl)sulfonylaniline
SYSTEMATIC NAME: 3-(3-aminophenyl)sulfonylaniline
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
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Product OPENEYE NAME: 4-(1-methyl-1-phenyl-ethyl)phenol
CAS Name: 4-(2-phenylpropan-2-yl)phenol
IUPAC NAME: 4-(2-phenylpropan-2-yl)phenol
SYSTEMATIC NAME: 4-(2-phenylpropan-2-yl)phenol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
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Product OPENEYE NAME: N,N,4-trimethylbenzenesulfonamide
CAS Name: N,N,4-trimethylbenzenesulfonamide
IUPAC NAME: N,N,4-trimethylbenzenesulfonamide
SYSTEMATIC NAME: N,N,4-trimethylbenzenesulfonamide
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C
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Product OPENEYE NAME: 2,2,2-tribromoethyl acetate
CAS Name: acetic acid 2,2,2-tribromoethyl ester
IUPAC NAME: 2,2,2-tribromoethyl acetate
SYSTEMATIC NAME: 2,2,2-tris(bromanyl)ethyl ethanoate
MOLECULAR FORMULA: C4H5Br3O2
MOLECULAR WEIGHT: 324.7933
SMILES: CC(=O)OCC(Br)(Br)Br
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Product OPENEYE NAME: ethyl 2-bromo-2-methyl-propanoate
CAS Name: 2-bromo-2-methylpropanoic acid ethyl ester
IUPAC NAME: ethyl 2-bromo-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-bromanyl-2-methyl-propanoate
MOLECULAR FORMULA: C6H11BrO2
MOLECULAR WEIGHT: 195.05434
SMILES: CCOC(=O)C(C)(C)Br
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Product OPENEYE NAME: 2,3-dibromopropanoic acid
CAS Name: 2,3-dibromopropanoic acid
IUPAC NAME: 2,3-dibromopropanoic acid
SYSTEMATIC NAME: 2,3-bis(bromanyl)propanoic acid
MOLECULAR FORMULA: C3H4Br2O2
MOLECULAR WEIGHT: 231.87066
SMILES: C(C(C(=O)O)Br)Br
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Product OPENEYE NAME: pentane-2,3-dione
CAS Name: pentane-2,3-dione
IUPAC NAME: pentane-2,3-dione
SYSTEMATIC NAME: pentane-2,3-dione
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCC(=O)C(=O)C
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Product OPENEYE NAME: methyl 2-oxopropanoate
CAS Name: 2-oxopropanoic acid methyl ester
IUPAC NAME: methyl 2-oxopropanoate
SYSTEMATIC NAME: methyl 2-oxidanylidenepropanoate
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: CC(=O)C(=O)OC
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Product OPENEYE NAME: 2-nitrobutane
CAS Name: 2-nitrobutane
IUPAC NAME: 2-nitrobutane
SYSTEMATIC NAME: 2-nitrobutane
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCC(C)[N+](=O)[O-]
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Product OPENEYE NAME: 1-chloro-1-nitro-propane
CAS Name: 1-chloro-1-nitropropane
IUPAC NAME: 1-chloro-1-nitropropane
SYSTEMATIC NAME: 1-chloranyl-1-nitro-propane
MOLECULAR FORMULA: C3H6ClNO2
MOLECULAR WEIGHT: 123.53824
SMILES: CCC([N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-chloropropanedioic acid
CAS Name: 2-chloropropanedioic acid
IUPAC NAME: 2-chloropropanedioic acid
SYSTEMATIC NAME: 2-chloranylpropanedioic acid
MOLECULAR FORMULA: C3H3ClO4
MOLECULAR WEIGHT: 138.50652
SMILES: C(C(=O)O)(C(=O)O)Cl
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Product OPENEYE NAME: 2,4-dimethylpentan-3-ol
CAS Name: 2,4-dimethyl-3-pentanol
IUPAC NAME: 2,4-dimethylpentan-3-ol
SYSTEMATIC NAME: 2,4-dimethylpentan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CC(C)C(C(C)C)O
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxaldehyde
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CC4)C=O)C
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H44O
MOLECULAR WEIGHT: 384.63766
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
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Product OPENEYE NAME: (13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
CAS Name: 3-cyclopentylpropanoic acid (13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
IUPAC NAME: (13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
SYSTEMATIC NAME: (13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
MOLECULAR FORMULA: C26H38O3
MOLECULAR WEIGHT: 398.57812
SMILES: CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35
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