Product OPENEYE NAME: (4-carboxyphenyl)mercury
CAS Name: (4-carboxyphenyl)mercury
IUPAC NAME: (4-carboxyphenyl)mercury
SYSTEMATIC NAME: (4-carboxyphenyl)mercury
MOLECULAR FORMULA: C7H5HgO2
MOLECULAR WEIGHT: 321.7034
SMILES: C1=CC(=CC=C1C(=O)O)[Hg]
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Product OPENEYE NAME: 4-isopropenyl-1-methyl-cyclohexanol
CAS Name: 1-methyl-4-(1-methylethenyl)-1-cyclohexanol
IUPAC NAME: 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: 1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C)C1CCC(CC1)(C)O
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Product OPENEYE NAME: N,N-dimethyl-4-nitroso-aniline
CAS Name: N,N-dimethyl-4-nitrosoaniline
IUPAC NAME: N,N-dimethyl-4-nitrosoaniline
SYSTEMATIC NAME: N,N-dimethyl-4-nitroso-aniline
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CN(C)C1=CC=C(C=C1)N=O
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Product OPENEYE NAME: calcium N-cyclohexylsulfamate
CAS Name: calcium N-cyclohexylsulfamate
IUPAC NAME: calcium N-cyclohexylsulfamate
SYSTEMATIC NAME: calcium N-cyclohexylsulfamate
MOLECULAR FORMULA: C12H24CaN2O6S2
MOLECULAR WEIGHT: 396.53676
SMILES: C1CCC(CC1)NS(=O)(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-].[Ca+2]
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Product OPENEYE NAME: benzyl-dodecyl-dimethyl-ammonium chloride
CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium chloride
IUPAC NAME: benzyl-dodecyl-dimethylazanium chloride
SYSTEMATIC NAME: dodecyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C21H38ClN
MOLECULAR WEIGHT: 339.98612
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-dodecyl-dimethyl-ammonium
CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-dodecyl-dimethylazanium
SYSTEMATIC NAME: dodecyl-dimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C21H38N+
MOLECULAR WEIGHT: 304.53312
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: benzyl-dimethyl-tetradecyl-ammonium chloride
CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium chloride
IUPAC NAME: benzyl-dimethyl-tetradecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tetradecyl-azanium chloride
MOLECULAR FORMULA: C23H42ClN
MOLECULAR WEIGHT: 368.03928
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-dimethyl-tetradecyl-ammonium
CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium
IUPAC NAME: benzyl-dimethyl-tetradecylazanium
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tetradecyl-azanium
MOLECULAR FORMULA: C23H42N+
MOLECULAR WEIGHT: 332.58628
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: aluminum triacetate
CAS Name: aluminum triacetate
IUPAC NAME: aluminum triacetate
SYSTEMATIC NAME: aluminum triethanoate
MOLECULAR FORMULA: C6H9AlO6
MOLECULAR WEIGHT: 204.113598
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]
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Product OPENEYE NAME: 2-[bis(carboxymethyl)amino]acetic acid
CAS Name: 2-[bis(carboxymethyl)amino]acetic acid
IUPAC NAME: 2-[bis(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C6H9NO6
MOLECULAR WEIGHT: 191.13876
SMILES: C(C(=O)O)N(CC(=O)O)CC(=O)O
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Product OPENEYE NAME: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CAS Name: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
IUPAC NAME: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
SYSTEMATIC NAME: disodium 2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C10H14N2Na2O8
MOLECULAR WEIGHT: 336.2063
SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 2-[bis(2-hydroxyethyl)amino]acetic acid
CAS Name: 2-[bis(2-hydroxyethyl)amino]acetic acid
IUPAC NAME: 2-[bis(2-hydroxyethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanoic acid
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C(CO)N(CCO)CC(=O)O
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Product OPENEYE NAME: cerium; oxalate
CAS Name: cerium; oxalate
IUPAC NAME: cerium; oxalate
SYSTEMATIC NAME: cerium; ethanedioate
MOLECULAR FORMULA: C2Ce2O4-2
MOLECULAR WEIGHT: 368.251
SMILES: C(=O)(C(=O)[O-])[O-].[Ce].[Ce]
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Product OPENEYE NAME: 2,3-di(propanoyloxy)propyl propanoate
CAS Name: propanoic acid 2,3-bis(1-oxopropoxy)propyl ester
IUPAC NAME: 2,3-di(propanoyloxy)propyl propanoate
SYSTEMATIC NAME: 2,3-di(propanoyloxy)propyl propanoate
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CCC(=O)OCC(COC(=O)CC)OC(=O)CC
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Product OPENEYE NAME: 4-phenoxyaniline
CAS Name: 4-phenoxyaniline
IUPAC NAME: 4-phenoxyaniline
SYSTEMATIC NAME: 4-phenoxyaniline
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N
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Product OPENEYE NAME: 4-(4-aminophenyl)sulfanylaniline
CAS Name: 4-[(4-aminophenyl)thio]aniline
IUPAC NAME: 4-(4-aminophenyl)sulfanylaniline
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfanylaniline
MOLECULAR FORMULA: C12H12N2S
MOLECULAR WEIGHT: 216.30208
SMILES: C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
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Product OPENEYE NAME: phenylsulfanylbenzene
CAS Name: (phenylthio)benzene
IUPAC NAME: phenylsulfanylbenzene
SYSTEMATIC NAME: phenylsulfanylbenzene
MOLECULAR FORMULA: C12H10S
MOLECULAR WEIGHT: 186.2728
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2
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Product OPENEYE NAME: 3,7-dimethyloct-6-enyl 2-phenylacetate
CAS Name: 2-phenylacetic acid 3,7-dimethyloct-6-enyl ester
IUPAC NAME: 3,7-dimethyloct-6-enyl 2-phenylacetate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl 2-phenylethanoate
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 3,4-dihydroxybenzaldehyde
CAS Name: 3,4-dihydroxybenzaldehyde
IUPAC NAME: 3,4-dihydroxybenzaldehyde
SYSTEMATIC NAME: 3,4-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=CC(=C(C=C1C=O)O)O
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Product OPENEYE NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: CCN(CCO)CCO
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Product OPENEYE NAME: (4-ethyl-1-isobutyl-octyl) hydrogen sulfate
CAS Name: sulfuric acid (7-ethyl-2-methylundecan-4-yl) ester
IUPAC NAME: (7-ethyl-2-methylundecan-4-yl) hydrogen sulfate
SYSTEMATIC NAME: (7-ethyl-2-methyl-undecan-4-yl) hydrogen sulfate
MOLECULAR FORMULA: C14H30O4S
MOLECULAR WEIGHT: 294.4506
SMILES: CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
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Product OPENEYE NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
CAS Name: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
IUPAC NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SYSTEMATIC NAME: trisodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoate
MOLECULAR FORMULA: C10H15N2Na3O7
MOLECULAR WEIGHT: 344.20461
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]
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