Product OPENEYE NAME: 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid
CAS Name: 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid
IUPAC NAME: 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
SYSTEMATIC NAME: 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid
MOLECULAR FORMULA: C20H38O7S
MOLECULAR WEIGHT: 422.57652
SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
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Product OPENEYE NAME: 1-(o-tolyl)ethanone
CAS Name: 1-(2-methylphenyl)ethanone
IUPAC NAME: 1-(2-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-methylphenyl)ethanone
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: CC1=CC=CC=C1C(=O)C
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Product OPENEYE NAME: 1-bromo-2-nitro-benzene
CAS Name: 1-bromo-2-nitrobenzene
IUPAC NAME: 1-bromo-2-nitrobenzene
SYSTEMATIC NAME: 1-bromanyl-2-nitro-benzene
MOLECULAR FORMULA: C6H4BrNO2
MOLECULAR WEIGHT: 202.00546
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br
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Product OPENEYE NAME: anthracene-1,2,10-triol
CAS Name: anthracene-1,2,10-triol
IUPAC NAME: anthracene-1,2,10-triol
SYSTEMATIC NAME: anthracene-1,2,10-triol
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC=C2C(=C1)C=C3C(=C2O)C=CC(=C3O)O
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Product OPENEYE NAME: butyl 4-aminobenzoate; picric acid
CAS Name: 4-aminobenzoic acid butyl ester; 2,4,6-trinitrophenol
IUPAC NAME: butyl 4-aminobenzoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: butyl 4-azanylbenzoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C17H18N4O9
MOLECULAR WEIGHT: 422.34622
SMILES: CCCCOC(=O)C1=CC=C(C=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1,2-diisopropylbenzene
CAS Name: 1,2-di(propan-2-yl)benzene
IUPAC NAME: 1,2-di(propan-2-yl)benzene
SYSTEMATIC NAME: 1,2-di(propan-2-yl)benzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CC(C)C1=CC=CC=C1C(C)C
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Product OPENEYE NAME: 1-(2-nitrophenyl)ethanone
CAS Name: 1-(2-nitrophenyl)ethanone
IUPAC NAME: 1-(2-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(2-nitrophenyl)ethanone
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: CC(=O)C1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: 8-ethoxy-1,3,7-trimethyl-purine-2,6-dione
CAS Name: 8-ethoxy-1,3,7-trimethylpurine-2,6-dione
IUPAC NAME: 8-ethoxy-1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-ethoxy-1,3,7-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C10H14N4O3
MOLECULAR WEIGHT: 238.24316
SMILES: CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
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Product OPENEYE NAME: 3,4-dinitrophenol
CAS Name: 3,4-dinitrophenol
IUPAC NAME: 3,4-dinitrophenol
SYSTEMATIC NAME: 3,4-dinitrophenol
MOLECULAR FORMULA: C6H4N2O5
MOLECULAR WEIGHT: 184.10636
SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-hydroxy-2-phenyl-chromen-4-one
CAS Name: 3-hydroxy-2-phenyl-1-benzopyran-4-one
IUPAC NAME: 3-hydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 3-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H10O3
MOLECULAR WEIGHT: 238.2381
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
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Product OPENEYE NAME: 3-(4-hydroxy-3,5-diiodo-phenyl)-2-phenyl-propanoic acid
CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
IUPAC NAME: 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
SYSTEMATIC NAME: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-phenyl-propanoic acid
MOLECULAR FORMULA: C15H12I2O3
MOLECULAR WEIGHT: 494.06292
SMILES: C1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O
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