Product OPENEYE NAME: O1-butyl O2-decyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-decyl ester
IUPAC NAME: 1-O-butyl 2-O-decyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O1-butyl O2-decyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
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Product OPENEYE NAME: 4-chlorophthalic acid
CAS Name: 4-chlorophthalic acid
IUPAC NAME: 4-chlorophthalic acid
SYSTEMATIC NAME: 4-chloranylphthalic acid
MOLECULAR FORMULA: C8H5ClO4
MOLECULAR WEIGHT: 200.5759
SMILES: C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O
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Product OPENEYE NAME: 6-dodecyl-2,2,4-trimethyl-1H-quinoline
CAS Name: 6-dodecyl-2,2,4-trimethyl-1H-quinoline
IUPAC NAME: 6-dodecyl-2,2,4-trimethyl-1H-quinoline
SYSTEMATIC NAME: 6-dodecyl-2,2,4-trimethyl-1H-quinoline
MOLECULAR FORMULA: C24H39N
MOLECULAR WEIGHT: 341.57316
SMILES: CCCCCCCCCCCCC1=CC2=C(C=C1)NC(C=C2C)(C)C
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Product OPENEYE NAME: furo[3,4-f]isobenzofuran-1,3,5,7-tetrone
CAS Name: furo[3,4-f]isobenzofuran-1,3,5,7-tetrone
IUPAC NAME: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SYSTEMATIC NAME: furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
MOLECULAR FORMULA: C10H2O6
MOLECULAR WEIGHT: 218.11928
SMILES: C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O
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Product OPENEYE NAME: (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid (2,4-dinitrophenyl) ester
IUPAC NAME: (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C9H9N3O4S2
MOLECULAR WEIGHT: 287.31546
SMILES: CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[4-[[4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
CAS Name: 2-[[4-[[4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]pentanedioic acid
IUPAC NAME: 2-[[4-[[4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C29H33N9O12
MOLECULAR WEIGHT: 699.62542
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
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Product OPENEYE NAME: 5-nitroisoindoline-1,3-dione
CAS Name: 5-nitroisoindole-1,3-dione
IUPAC NAME: 5-nitroisoindole-1,3-dione
SYSTEMATIC NAME: 5-nitroisoindole-1,3-dione
MOLECULAR FORMULA: C8H4N2O4
MOLECULAR WEIGHT: 192.12836
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O
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Product OPENEYE NAME: (2-isopropyl-5-methyl-cyclohexyl) 2-hydroxybenzoate
CAS Name: 2-hydroxybenzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester
IUPAC NAME: (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxybenzoate
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-cyclohexyl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CC1CCC(C(C1)OC(=O)C2=CC=CC=C2O)C(C)C
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Product OPENEYE NAME: 2-acetamidobenzoic acid
CAS Name: 2-acetamidobenzoic acid
IUPAC NAME: 2-acetamidobenzoic acid
SYSTEMATIC NAME: 2-acetamidobenzoic acid
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: CC(=O)NC1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: 5-bromo-2-hydroxy-benzoic acid
CAS Name: 5-bromo-2-hydroxybenzoic acid
IUPAC NAME: 5-bromo-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5BrO3
MOLECULAR WEIGHT: 217.0168
SMILES: C1=CC(=C(C=C1Br)C(=O)O)O
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Product OPENEYE NAME: 2-hydroxy-5-methyl-benzoic acid
CAS Name: 2-hydroxy-5-methylbenzoic acid
IUPAC NAME: 2-hydroxy-5-methylbenzoic acid
SYSTEMATIC NAME: 5-methyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: CC1=CC(=C(C=C1)O)C(=O)O
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Product OPENEYE NAME: 1,4-dimethyl-2-nitro-benzene
CAS Name: 1,4-dimethyl-2-nitrobenzene
IUPAC NAME: 1,4-dimethyl-2-nitrobenzene
SYSTEMATIC NAME: 1,4-dimethyl-2-nitro-benzene
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=CC(=C(C=C1)C)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-1-methyl-2-nitro-benzene
CAS Name: 4-chloro-1-methyl-2-nitrobenzene
IUPAC NAME: 4-chloro-1-methyl-2-nitrobenzene
SYSTEMATIC NAME: 4-chloranyl-1-methyl-2-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1-chloro-4-methyl-2-nitro-benzene
CAS Name: 1-chloro-4-methyl-2-nitrobenzene
IUPAC NAME: 1-chloro-4-methyl-2-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-4-methyl-2-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1,4-dichloro-2-nitro-benzene
CAS Name: 1,4-dichloro-2-nitrobenzene
IUPAC NAME: 1,4-dichloro-2-nitrobenzene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2-nitro-benzene
MOLECULAR FORMULA: C6H3Cl2NO2
MOLECULAR WEIGHT: 191.99952
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 4-methyl-2-nitro-aniline
CAS Name: 4-methyl-2-nitroaniline
IUPAC NAME: 4-methyl-2-nitroaniline
SYSTEMATIC NAME: 4-methyl-2-nitro-aniline
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: CC1=CC(=C(C=C1)N)[N+](=O)[O-]
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