Product OPENEYE NAME: 1-phenylethanamine
CAS Name: 1-phenylethanamine
IUPAC NAME: 1-phenylethanamine
SYSTEMATIC NAME: 1-phenylethanamine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC(C1=CC=CC=C1)N
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Product OPENEYE NAME: 1-phenylethanol
CAS Name: 1-phenylethanol
IUPAC NAME: 1-phenylethanol
SYSTEMATIC NAME: 1-phenylethanol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC(C1=CC=CC=C1)O
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Product OPENEYE NAME: 1-phenylethanone
CAS Name: 1-phenylethanone
IUPAC NAME: 1-phenylethanone
SYSTEMATIC NAME: 1-phenylethanone
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: CC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: dichloromethylbenzene
CAS Name: dichloromethylbenzene
IUPAC NAME: dichloromethylbenzene
SYSTEMATIC NAME: bis(chloranyl)methylbenzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: C1=CC=C(C=C1)C(Cl)Cl
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Product OPENEYE NAME: benzoyl chloride
CAS Name: benzoyl chloride
IUPAC NAME: benzoyl chloride
SYSTEMATIC NAME: benzoyl chloride
MOLECULAR FORMULA: C7H5ClO
MOLECULAR WEIGHT: 140.567
SMILES: C1=CC=C(C=C1)C(=O)Cl
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Product OPENEYE NAME: cyclohexanecarboxylic acid
CAS Name: cyclohexanecarboxylic acid
IUPAC NAME: cyclohexanecarboxylic acid
SYSTEMATIC NAME: cyclohexanecarboxylic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: C1CCC(CC1)C(=O)O
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Product OPENEYE NAME: benzenecarbothioic S-acid
CAS Name: benzenecarbothioic S-acid
IUPAC NAME: benzenecarbothioic S-acid
SYSTEMATIC NAME: benzenecarbothioic S-acid
MOLECULAR FORMULA: C7H6OS
MOLECULAR WEIGHT: 138.18694
SMILES: C1=CC=C(C=C1)C(=O)S
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Product OPENEYE NAME: N,N-dimethylcyclohexanamine
CAS Name: N,N-dimethylcyclohexanamine
IUPAC NAME: N,N-dimethylcyclohexanamine
SYSTEMATIC NAME: N,N-dimethylcyclohexanamine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CN(C)C1CCCCC1
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Product OPENEYE NAME: nitrobenzene
CAS Name: nitrobenzene
IUPAC NAME: nitrobenzene
SYSTEMATIC NAME: nitrobenzene
MOLECULAR FORMULA: C6H5NO2
MOLECULAR WEIGHT: 123.1094
SMILES: C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(3-aminophenyl)ethanone
CAS Name: 1-(3-aminophenyl)ethanone
IUPAC NAME: 1-(3-aminophenyl)ethanone
SYSTEMATIC NAME: 1-(3-aminophenyl)ethanone
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC(=O)C1=CC(=CC=C1)N
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Product OPENEYE NAME: 3-methylbenzoic acid
CAS Name: 3-methylbenzoic acid
IUPAC NAME: 3-methylbenzoic acid
SYSTEMATIC NAME: 3-methylbenzoic acid
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=CC=CC(=C1)C(=O)O
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Product OPENEYE NAME: 3-aminobenzoic acid
CAS Name: 3-aminobenzoic acid
IUPAC NAME: 3-aminobenzoic acid
SYSTEMATIC NAME: 3-azanylbenzoic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C1=CC(=CC(=C1)N)C(=O)O
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Product OPENEYE NAME: 3-hydroxybenzoic acid
CAS Name: 3-hydroxybenzoic acid
IUPAC NAME: 3-hydroxybenzoic acid
SYSTEMATIC NAME: 3-oxidanylbenzoic acid
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=CC(=CC(=C1)O)C(=O)O
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Product OPENEYE NAME: 3-(dimethylamino)phenol
CAS Name: 3-(dimethylamino)phenol
IUPAC NAME: 3-(dimethylamino)phenol
SYSTEMATIC NAME: 3-(dimethylamino)phenol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CN(C)C1=CC(=CC=C1)O
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Product OPENEYE NAME: 1-methyl-3-nitro-benzene
CAS Name: 1-methyl-3-nitrobenzene
IUPAC NAME: 1-methyl-3-nitrobenzene
SYSTEMATIC NAME: 1-methyl-3-nitro-benzene
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CC(=CC=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-nitroaniline
CAS Name: 3-nitroaniline
IUPAC NAME: 3-nitroaniline
SYSTEMATIC NAME: 3-nitroaniline
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N
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Product OPENEYE NAME: 3,5-dihydroxybenzoic acid
CAS Name: 3,5-dihydroxybenzoic acid
IUPAC NAME: 3,5-dihydroxybenzoic acid
SYSTEMATIC NAME: 3,5-bis(oxidanyl)benzoic acid
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: C1=C(C=C(C=C1O)O)C(=O)O
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Product OPENEYE NAME: 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CAS Name: 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
IUPAC NAME: 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-oxidanyl-6-oxidanylidene-1H-pyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: C1=C(C=C(NC1=O)O)C(=O)O
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Product OPENEYE NAME: 1,3-dimethyl-5-nitro-benzene
CAS Name: 1,3-dimethyl-5-nitrobenzene
IUPAC NAME: 1,3-dimethyl-5-nitrobenzene
SYSTEMATIC NAME: 1,3-dimethyl-5-nitro-benzene
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=CC(=CC(=C1)[N+](=O)[O-])C
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: methyl 3,4,5-trihydroxybenzoate
CAS Name: 3,4,5-trihydroxybenzoic acid methyl ester
IUPAC NAME: methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C8H8O5
MOLECULAR WEIGHT: 184.14612
SMILES: COC(=O)C1=CC(=C(C(=C1)O)O)O
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Product OPENEYE NAME: 2,6-dibromo-4-nitro-phenol
CAS Name: 2,6-dibromo-4-nitrophenol
IUPAC NAME: 2,6-dibromo-4-nitrophenol
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-nitro-phenol
MOLECULAR FORMULA: C6H3Br2NO3
MOLECULAR WEIGHT: 296.90092
SMILES: C1=C(C=C(C(=C1Br)O)Br)[N+](=O)[O-]
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Product OPENEYE NAME: 2,6-dichloro-4-nitro-aniline
CAS Name: 2,6-dichloro-4-nitroaniline
IUPAC NAME: 2,6-dichloro-4-nitroaniline
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-nitro-aniline
MOLECULAR FORMULA: C6H4Cl2N2O2
MOLECULAR WEIGHT: 207.01416
SMILES: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-oxopyran-2,6-dicarboxylic acid
CAS Name: 4-oxopyran-2,6-dicarboxylic acid
IUPAC NAME: 4-oxopyran-2,6-dicarboxylic acid
SYSTEMATIC NAME: 4-oxidanylidenepyran-2,6-dicarboxylic acid
MOLECULAR FORMULA: C7H4O6
MOLECULAR WEIGHT: 184.10306
SMILES: C1=C(OC(=CC1=O)C(=O)O)C(=O)O
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