Product OPENEYE NAME: 1-methylindole
CAS Name: 1-methylindole
IUPAC NAME: 1-methylindole
SYSTEMATIC NAME: 1-methylindole
MOLECULAR FORMULA: C9H9N
MOLECULAR WEIGHT: 131.17446
SMILES: CN1C=CC2=CC=CC=C21
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Product OPENEYE NAME: 2,3-dimethylbenzoic acid
CAS Name: 2,3-dimethylbenzoic acid
IUPAC NAME: 2,3-dimethylbenzoic acid
SYSTEMATIC NAME: 2,3-dimethylbenzoic acid
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC=CC(=C1C)C(=O)O
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Product OPENEYE NAME: 2-methyl-3-nitro-aniline
CAS Name: 2-methyl-3-nitroaniline
IUPAC NAME: 2-methyl-3-nitroaniline
SYSTEMATIC NAME: 2-methyl-3-nitro-aniline
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])N
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Product OPENEYE NAME: 2-chloro-6-nitro-phenol
CAS Name: 2-chloro-6-nitrophenol
IUPAC NAME: 2-chloro-6-nitrophenol
SYSTEMATIC NAME: 2-chloranyl-6-nitro-phenol
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-]
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Product OPENEYE NAME: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
CAS Name: benzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
MOLECULAR FORMULA: C34H50O2
MOLECULAR WEIGHT: 490.7596
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C
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Product OPENEYE NAME: [(3S,9S,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H48O2
MOLECULAR WEIGHT: 428.69022
SMILES: CC(C)CCCC(C)[C@H]1CC[C@@H]2C1(CC[C@H]3C2CC=C4C3(CC[C@@H](C4)OC(=O)C)C)C
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Product OPENEYE NAME: 4-chloronaphthalen-1-ol
CAS Name: 4-chloro-1-naphthalenol
IUPAC NAME: 4-chloronaphthalen-1-ol
SYSTEMATIC NAME: 4-chloranylnaphthalen-1-ol
MOLECULAR FORMULA: C10H7ClO
MOLECULAR WEIGHT: 178.61498
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)O
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Product OPENEYE NAME: 1-methylquinazoline-2,4-dione
CAS Name: 1-methylquinazoline-2,4-dione
IUPAC NAME: 1-methylquinazoline-2,4-dione
SYSTEMATIC NAME: 1-methylquinazoline-2,4-dione
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CN1C2=CC=CC=C2C(=O)NC1=O
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Product OPENEYE NAME: 1-(1-naphthyl)naphthalene
CAS Name: 1-(1-naphthalenyl)naphthalene
IUPAC NAME: 1-naphthalen-1-ylnaphthalene
SYSTEMATIC NAME: 1-naphthalen-1-ylnaphthalene
MOLECULAR FORMULA: C20H14
MOLECULAR WEIGHT: 254.32516
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 2-phenylbenzo[h]chromen-4-one
CAS Name: 2-phenyl-4-benzo[h][1]benzopyranone
IUPAC NAME: 2-phenylbenzo[h]chromen-4-one
SYSTEMATIC NAME: 2-phenylbenzo[h]chromen-4-one
MOLECULAR FORMULA: C19H12O2
MOLECULAR WEIGHT: 272.29738
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
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Product OPENEYE NAME: 1,2,3,4,5,6-hexaethylbenzene
CAS Name: 1,2,3,4,5,6-hexaethylbenzene
IUPAC NAME: 1,2,3,4,5,6-hexaethylbenzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexaethylbenzene
MOLECULAR FORMULA: C18H30
MOLECULAR WEIGHT: 246.4308
SMILES: CCC1=C(C(=C(C(=C1CC)CC)CC)CC)CC
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Product OPENEYE NAME: [4-[1-ethyl-2-[4-(trimethylammonio)phenyl]butyl]phenyl]-trimethyl-ammonium diiodide
CAS Name: trimethyl-[4-[4-[4-(trimethylammonio)phenyl]hexan-3-yl]phenyl]ammonium diiodide
IUPAC NAME: trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium diiodide
MOLECULAR FORMULA: C24H38I2N2
MOLECULAR WEIGHT: 608.38086
SMILES: CCC(C1=CC=C(C=C1)[N+](C)(C)C)C(CC)C2=CC=C(C=C2)[N+](C)(C)C.[I-].[I-]
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Product OPENEYE NAME: [4-[1-ethyl-2-[4-(trimethylammonio)phenyl]butyl]phenyl]-trimethyl-ammonium
CAS Name: trimethyl-[4-[4-[4-(trimethylammonio)phenyl]hexan-3-yl]phenyl]ammonium
IUPAC NAME: trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium
SYSTEMATIC NAME: trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium
MOLECULAR FORMULA: C24H38N2+2
MOLECULAR WEIGHT: 354.57192
SMILES: CCC(C1=CC=C(C=C1)[N+](C)(C)C)C(CC)C2=CC=C(C=C2)[N+](C)(C)C
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Product OPENEYE NAME: 1,2,3,4,5-pentaethylbenzene
CAS Name: 1,2,3,4,5-pentaethylbenzene
IUPAC NAME: 1,2,3,4,5-pentaethylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentaethylbenzene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CCC1=CC(=C(C(=C1CC)CC)CC)CC
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