Product OPENEYE NAME: 2,3,5-triiodobenzoic acid
CAS Name: 2,3,5-triiodobenzoic acid
IUPAC NAME: 2,3,5-triiodobenzoic acid
SYSTEMATIC NAME: 2,3,5-tris(iodanyl)benzoic acid
MOLECULAR FORMULA: C7H3I3O2
MOLECULAR WEIGHT: 499.81093
SMILES: C1=C(C=C(C(=C1I)I)C(=O)O)I
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Product OPENEYE NAME: 7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene
CAS Name: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
IUPAC NAME: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
SYSTEMATIC NAME: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1CCC(=C(C)C)CC2=C1CCC2C
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Product OPENEYE NAME: 2,4-dinitro-6-sec-butyl-phenol
CAS Name: 2-butan-2-yl-4,6-dinitrophenol
IUPAC NAME: 2-butan-2-yl-4,6-dinitrophenol
SYSTEMATIC NAME: 2-butan-2-yl-4,6-dinitro-phenol
MOLECULAR FORMULA: C10H12N2O5
MOLECULAR WEIGHT: 240.21268
SMILES: CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2,5-dichloro-3-nitro-benzoic acid
CAS Name: 2,5-dichloro-3-nitrobenzoic acid
IUPAC NAME: 2,5-dichloro-3-nitrobenzoic acid
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H3Cl2NO4
MOLECULAR WEIGHT: 236.00902
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)Cl
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Product OPENEYE NAME: 4-chloro-2,6-dinitro-phenol
CAS Name: 4-chloro-2,6-dinitrophenol
IUPAC NAME: 4-chloro-2,6-dinitrophenol
SYSTEMATIC NAME: 4-chloranyl-2,6-dinitro-phenol
MOLECULAR FORMULA: C6H3ClN2O5
MOLECULAR WEIGHT: 218.55142
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-chloro-1,3,5-trinitro-benzene
CAS Name: 2-chloro-1,3,5-trinitrobenzene
IUPAC NAME: 2-chloro-1,3,5-trinitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1,3,5-trinitro-benzene
MOLECULAR FORMULA: C6H2ClN3O6
MOLECULAR WEIGHT: 247.54958
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: picric acid
CAS Name: 2,4,6-trinitrophenol
IUPAC NAME: 2,4,6-trinitrophenol
SYSTEMATIC NAME: 2,4,6-trinitrophenol
MOLECULAR FORMULA: C6H3N3O7
MOLECULAR WEIGHT: 229.10392
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: benzene-1,2-dicarbonyl chloride
CAS Name: benzene-1,2-dicarbonyl chloride
IUPAC NAME: benzene-1,2-dicarbonyl chloride
SYSTEMATIC NAME: benzene-1,2-dicarbonyl chloride
MOLECULAR FORMULA: C8H4Cl2O2
MOLECULAR WEIGHT: 203.02216
SMILES: C1=CC=C(C(=C1)C(=O)Cl)C(=O)Cl
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Product OPENEYE NAME: phthalamide
CAS Name: benzene-1,2-dicarboxamide
IUPAC NAME: benzene-1,2-dicarboxamide
SYSTEMATIC NAME: benzene-1,2-dicarboxamide
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)N
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Product OPENEYE NAME: 2-carbamoylbenzoic acid
CAS Name: 2-carbamoylbenzoic acid
IUPAC NAME: 2-carbamoylbenzoic acid
SYSTEMATIC NAME: 2-aminocarbonylbenzoic acid
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)O
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Product OPENEYE NAME: cyclohexene-1,2-dicarboxylic acid
CAS Name: cyclohexene-1,2-dicarboxylic acid
IUPAC NAME: cyclohexene-1,2-dicarboxylic acid
SYSTEMATIC NAME: cyclohexene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: C1CCC(=C(C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 2,4-dinitrobenzenesulfonic acid
CAS Name: 2,4-dinitrobenzenesulfonic acid
IUPAC NAME: 2,4-dinitrobenzenesulfonic acid
SYSTEMATIC NAME: 2,4-dinitrobenzenesulfonic acid
MOLECULAR FORMULA: C6H4N2O7S
MOLECULAR WEIGHT: 248.17016
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O
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Product OPENEYE NAME: trioctyl benzene-1,2,4-tricarboxylate
CAS Name: benzene-1,2,4-tricarboxylic acid trioctyl ester
IUPAC NAME: trioctyl benzene-1,2,4-tricarboxylate
SYSTEMATIC NAME: trioctyl benzene-1,2,4-tricarboxylate
MOLECULAR FORMULA: C33H54O6
MOLECULAR WEIGHT: 546.77826
SMILES: CCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC
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Product OPENEYE NAME: benzene-1,2,4,5-tetracarboxylic acid
CAS Name: benzene-1,2,4,5-tetracarboxylic acid
IUPAC NAME: benzene-1,2,4,5-tetracarboxylic acid
SYSTEMATIC NAME: benzene-1,2,4,5-tetracarboxylic acid
MOLECULAR FORMULA: C10H6O8
MOLECULAR WEIGHT: 254.14984
SMILES: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-sulfophthalic acid
CAS Name: 4-sulfophthalic acid
IUPAC NAME: 4-sulfophthalic acid
SYSTEMATIC NAME: 4-sulfophthalic acid
MOLECULAR FORMULA: C8H6O7S
MOLECULAR WEIGHT: 246.19404
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O
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