Product OPENEYE NAME: methyl(1,2,2-trimethylpropoxy)phosphinic acid
CAS Name: 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
IUPAC NAME: 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
SYSTEMATIC NAME: 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
MOLECULAR FORMULA: C7H17O3P
MOLECULAR WEIGHT: 180.181841
SMILES: CC(C(C)(C)C)OP(=O)(C)O
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Product OPENEYE NAME: 2-propylpropanedioic acid
CAS Name: 2-propylpropanedioic acid
IUPAC NAME: 2-propylpropanedioic acid
SYSTEMATIC NAME: 2-propylpropanedioic acid
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: CCCC(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C)C
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Product OPENEYE NAME: 1,5-dimethyl-2,4-dinitro-benzene
CAS Name: 1,5-dimethyl-2,4-dinitrobenzene
IUPAC NAME: 1,5-dimethyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1,5-dimethyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C
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Product OPENEYE NAME: 5-methyl-2,4-dinitro-phenol
CAS Name: 5-methyl-2,4-dinitrophenol
IUPAC NAME: 5-methyl-2,4-dinitrophenol
SYSTEMATIC NAME: 5-methyl-2,4-dinitro-phenol
MOLECULAR FORMULA: C7H6N2O5
MOLECULAR WEIGHT: 198.13294
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O
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Product OPENEYE NAME: 2-benzylpropanedioic acid
CAS Name: 2-(phenylmethyl)propanedioic acid
IUPAC NAME: 2-benzylpropanedioic acid
SYSTEMATIC NAME: 2-(phenylmethyl)propanedioic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1=CC=C(C=C1)CC(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-amino-5-nitro-benzoic acid
CAS Name: 2-amino-5-nitrobenzoic acid
IUPAC NAME: 2-amino-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-nitro-benzoic acid
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N
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Product OPENEYE NAME: 4-hydroxy-3-nitro-benzoic acid
CAS Name: 4-hydroxy-3-nitrobenzoic acid
IUPAC NAME: 4-hydroxy-3-nitrobenzoic acid
SYSTEMATIC NAME: 3-nitro-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O
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Product OPENEYE NAME: 2-pentylpropanedioic acid
CAS Name: 2-pentylpropanedioic acid
IUPAC NAME: 2-pentylpropanedioic acid
SYSTEMATIC NAME: 2-pentylpropanedioic acid
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCCCCC(C(=O)O)C(=O)O
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Product OPENEYE NAME: (2R)-2-acetamido-3-sulfanyl-propanoic acid
CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid
IUPAC NAME: (2R)-2-acetamido-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H9NO3S
MOLECULAR WEIGHT: 163.19486
SMILES: CC(=O)N[C@@H](CS)C(=O)O
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Product OPENEYE NAME: ethyl 4-hydroxy-3-methoxy-benzoate
CAS Name: 4-hydroxy-3-methoxybenzoic acid ethyl ester
IUPAC NAME: ethyl 4-hydroxy-3-methoxybenzoate
SYSTEMATIC NAME: ethyl 3-methoxy-4-oxidanyl-benzoate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCOC(=O)C1=CC(=C(C=C1)O)OC
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Product OPENEYE NAME: (3R,4R)-3-(1-carboxyvinyloxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid
CAS Name: (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-1-cyclohexa-1,5-dienecarboxylic acid
IUPAC NAME: (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
SYSTEMATIC NAME: (3R,4R)-4-oxidanyl-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohexa-1,5-diene-1-carboxylic acid
MOLECULAR FORMULA: C10H10O6
MOLECULAR WEIGHT: 226.1828
SMILES: C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O
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Product OPENEYE NAME: 2-methylhexan-3-ol
CAS Name: 2-methyl-3-hexanol
IUPAC NAME: 2-methylhexan-3-ol
SYSTEMATIC NAME: 2-methylhexan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCCC(C(C)C)O
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Product OPENEYE NAME: ethyl 2-oxopropanoate
CAS Name: 2-oxopropanoic acid ethyl ester
IUPAC NAME: ethyl 2-oxopropanoate
SYSTEMATIC NAME: ethyl 2-oxidanylidenepropanoate
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CCOC(=O)C(=O)C
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Product OPENEYE NAME: ethyl N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid ethyl ester
IUPAC NAME: ethyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: ethyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C5H11NS2
MOLECULAR WEIGHT: 149.27754
SMILES: CCSC(=S)N(C)C
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Product OPENEYE NAME: 2-chlorobut-2-enedioic acid
CAS Name: 2-chloro-2-butenedioic acid
IUPAC NAME: 2-chlorobut-2-enedioic acid
SYSTEMATIC NAME: 2-chloranylbut-2-enedioic acid
MOLECULAR FORMULA: C4H3ClO4
MOLECULAR WEIGHT: 150.51722
SMILES: C(=C(C(=O)O)Cl)C(=O)O
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Product OPENEYE NAME: isopropyl 2-methylpropanoate
CAS Name: 2-methylpropanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-methylpropanoate
SYSTEMATIC NAME: propan-2-yl 2-methylpropanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CC(C)C(=O)OC(C)C
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