Product OPENEYE NAME: 5-nitroquinoline-2-carboxylic acid
CAS Name: 5-nitro-2-quinolinecarboxylic acid
IUPAC NAME: 5-nitroquinoline-2-carboxylic acid
SYSTEMATIC NAME: 5-nitroquinoline-2-carboxylic acid
MOLECULAR FORMULA: C10H6N2O4
MOLECULAR WEIGHT: 218.16564
SMILES: C1=CC2=C(C=CC(=N2)C(=O)O)C(=C1)[N+](=O)[O-]
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Product OPENEYE NAME: (2,3-diacetoxyphenyl) acetate
CAS Name: acetic acid (2,3-diacetyloxyphenyl) ester
IUPAC NAME: (2,3-diacetyloxyphenyl) acetate
SYSTEMATIC NAME: (2,3-diacetyloxyphenyl) ethanoate
MOLECULAR FORMULA: C12H12O6
MOLECULAR WEIGHT: 252.22008
SMILES: CC(=O)OC1=C(C(=CC=C1)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 9H-fluorene-2,7-diamine
CAS Name: 9H-fluorene-2,7-diamine
IUPAC NAME: 9H-fluorene-2,7-diamine
SYSTEMATIC NAME: 9H-fluorene-2,7-diamine
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N
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Product OPENEYE NAME: 2-phenylchromen-4-one
CAS Name: 2-phenyl-1-benzopyran-4-one
IUPAC NAME: 2-phenylchromen-4-one
SYSTEMATIC NAME: 2-phenylchromen-4-one
MOLECULAR FORMULA: C15H10O2
MOLECULAR WEIGHT: 222.2387
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
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Product OPENEYE NAME: 2-hydroxybenzoate; 2-hydroxybenzoic acid
CAS Name: 2-hydroxybenzoate; 2-hydroxybenzoic acid
IUPAC NAME: 2-hydroxybenzoate; 2-hydroxybenzoic acid
SYSTEMATIC NAME: 2-oxidanylbenzoate; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C14H11O6-
MOLECULAR WEIGHT: 275.23354
SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)[O-])O
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Product OPENEYE NAME: strontium 2-hydroxybenzoate
CAS Name: strontium 2-hydroxybenzoate
IUPAC NAME: strontium 2-hydroxybenzoate
SYSTEMATIC NAME: strontium 2-oxidanylbenzoate
MOLECULAR FORMULA: C14H10O6Sr
MOLECULAR WEIGHT: 361.8456
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Sr+2]
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Product OPENEYE NAME: 3-allyl-5-methyl-oxazolidine-2,4-dione
CAS Name: 5-methyl-3-prop-2-enyloxazolidine-2,4-dione
IUPAC NAME: 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CC1C(=O)N(C(=O)O1)CC=C
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Product OPENEYE NAME: 2-amino-3-(1H-indol-3-yl)propan-1-ol
CAS Name: 2-amino-3-(1H-indol-3-yl)-1-propanol
IUPAC NAME: 2-amino-3-(1H-indol-3-yl)propan-1-ol
SYSTEMATIC NAME: 2-azanyl-3-(1H-indol-3-yl)propan-1-ol
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(CO)N
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Product OPENEYE NAME: 2-(1H-indol-3-yl)ethanol
CAS Name: 2-(1H-indol-3-yl)ethanol
IUPAC NAME: 2-(1H-indol-3-yl)ethanol
SYSTEMATIC NAME: 2-(1H-indol-3-yl)ethanol
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C1=CC=C2C(=C1)C(=CN2)CCO
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Product OPENEYE NAME: 1,2,3-trimethylbenzene
CAS Name: 1,2,3-trimethylbenzene
IUPAC NAME: 1,2,3-trimethylbenzene
SYSTEMATIC NAME: 1,2,3-trimethylbenzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: CC1=C(C(=CC=C1)C)C
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Product OPENEYE NAME: 2,3-dimethylphenol
CAS Name: 2,3-dimethylphenol
IUPAC NAME: 2,3-dimethylphenol
SYSTEMATIC NAME: 2,3-dimethylphenol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=C(C(=CC=C1)O)C
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Product OPENEYE NAME: 2,3-dimethyl-1,4-benzoquinone
CAS Name: 2,3-dimethylcyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2,3-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethylcyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=C(C(=O)C=CC1=O)C
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Product OPENEYE NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
IUPAC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SYSTEMATIC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C6H12O7
MOLECULAR WEIGHT: 196.15528
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
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Product OPENEYE NAME: copper (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CAS Name: copper (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC NAME: copper (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: copper (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C12H22CuO14
MOLECULAR WEIGHT: 453.84068
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Cu+2]
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Product OPENEYE NAME: 2,3,4,5,6-pentachloroaniline
CAS Name: 2,3,4,5,6-pentachloroaniline
IUPAC NAME: 2,3,4,5,6-pentachloroaniline
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(chloranyl)aniline
MOLECULAR FORMULA: C6H2Cl5N
MOLECULAR WEIGHT: 265.35178
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N
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Product OPENEYE NAME: 2,3,5,6-tetramethylphenol
CAS Name: 2,3,5,6-tetramethylphenol
IUPAC NAME: 2,3,5,6-tetramethylphenol
SYSTEMATIC NAME: 2,3,5,6-tetramethylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=CC(=C(C(=C1C)O)C)C
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Product OPENEYE NAME: 1,2,3,5-tetramethylbenzene
CAS Name: 1,2,3,5-tetramethylbenzene
IUPAC NAME: 1,2,3,5-tetramethylbenzene
SYSTEMATIC NAME: 1,2,3,5-tetramethylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC1=CC(=C(C(=C1)C)C)C
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Product OPENEYE NAME: 3,4,5-trimethylphenol
CAS Name: 3,4,5-trimethylphenol
IUPAC NAME: 3,4,5-trimethylphenol
SYSTEMATIC NAME: 3,4,5-trimethylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC1=CC(=CC(=C1C)C)O
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Product OPENEYE NAME: 4,5-dimethylbenzene-1,3-diol
CAS Name: 4,5-dimethylbenzene-1,3-diol
IUPAC NAME: 4,5-dimethylbenzene-1,3-diol
SYSTEMATIC NAME: 4,5-dimethylbenzene-1,3-diol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: CC1=CC(=CC(=C1C)O)O
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Product OPENEYE NAME: 2,4,6-trimethylphenol
CAS Name: 2,4,6-trimethylphenol
IUPAC NAME: 2,4,6-trimethylphenol
SYSTEMATIC NAME: 2,4,6-trimethylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC1=CC(=C(C(=C1)C)O)C
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Product OPENEYE NAME: 2-amino-4,6-dichloro-phenol
CAS Name: 2-amino-4,6-dichlorophenol
IUPAC NAME: 2-amino-4,6-dichlorophenol
SYSTEMATIC NAME: 2-azanyl-4,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H5Cl2NO
MOLECULAR WEIGHT: 178.016
SMILES: C1=C(C=C(C(=C1Cl)O)N)Cl
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Product OPENEYE NAME: thiophene-2-carboxylic acid
CAS Name: 2-thiophenecarboxylic acid
IUPAC NAME: thiophene-2-carboxylic acid
SYSTEMATIC NAME: thiophene-2-carboxylic acid
MOLECULAR FORMULA: C5H4O2S
MOLECULAR WEIGHT: 128.14906
SMILES: C1=CSC(=C1)C(=O)O
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