Wednesday, August 10, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-(5-fluoro-1H-indol-3-yl)propan-2-amine
CAS Name: 1-(5-fluoro-1H-indol-3-yl)-2-propanamine
IUPAC NAME: 1-(5-fluoro-1H-indol-3-yl)propan-2-amine
SYSTEMATIC NAME: 1-(5-fluoranyl-1H-indol-3-yl)propan-2-amine
MOLECULAR FORMULA: C11H13FN2
MOLECULAR WEIGHT: 192.232723
SMILES: CC(CC1=CNC2=C1C=C(C=C2)F)N
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Product OPENEYE NAME: 2-(5-methoxy-1H-indol-3-yl)ethanol
CAS Name: 2-(5-methoxy-1H-indol-3-yl)ethanol
IUPAC NAME: 2-(5-methoxy-1H-indol-3-yl)ethanol
SYSTEMATIC NAME: 2-(5-methoxy-1H-indol-3-yl)ethanol
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: COC1=CC2=C(C=C1)NC=C2CCO
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Product OPENEYE NAME: chloro(diphenyl)arsane
CAS Name: chloro(diphenyl)arsine
IUPAC NAME: chloro(diphenyl)arsane
SYSTEMATIC NAME: chloranyl(diphenyl)arsane
MOLECULAR FORMULA: C12H10AsCl
MOLECULAR WEIGHT: 264.5824
SMILES: C1=CC=C(C=C1)[As](C2=CC=CC=C2)Cl
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Product OPENEYE NAME: cyclohexyl(phenyl)methanone
CAS Name: cyclohexyl(phenyl)methanone
IUPAC NAME: cyclohexyl(phenyl)methanone
SYSTEMATIC NAME: cyclohexyl(phenyl)methanone
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: benzene-1,2,4,5-tetracarbonitrile
CAS Name: benzene-1,2,4,5-tetracarbonitrile
IUPAC NAME: benzene-1,2,4,5-tetracarbonitrile
SYSTEMATIC NAME: benzene-1,2,4,5-tetracarbonitrile
MOLECULAR FORMULA: C10H2N4
MOLECULAR WEIGHT: 178.14968
SMILES: C1=C(C(=CC(=C1C#N)C#N)C#N)C#N
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Product OPENEYE NAME: [2-(2-chlorophenyl)-1-methyl-ethyl] carbamate
CAS Name: carbamic acid 1-(2-chlorophenyl)propan-2-yl ester
IUPAC NAME: 1-(2-chlorophenyl)propan-2-yl carbamate
SYSTEMATIC NAME: 1-(2-chlorophenyl)propan-2-yl carbamate
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: CC(CC1=CC=CC=C1Cl)OC(=O)N
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Product OPENEYE NAME: 6-nitro-1,3-benzodioxole-5-carbaldehyde
CAS Name: 6-nitro-1,3-benzodioxole-5-carboxaldehyde
IUPAC NAME: 6-nitro-1,3-benzodioxole-5-carbaldehyde
SYSTEMATIC NAME: 6-nitro-1,3-benzodioxole-5-carbaldehyde
MOLECULAR FORMULA: C8H5NO5
MOLECULAR WEIGHT: 195.129
SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-tert-butylphenoxy)ethanol
CAS Name: 2-(4-tert-butylphenoxy)ethanol
IUPAC NAME: 2-(4-tert-butylphenoxy)ethanol
SYSTEMATIC NAME: 2-(4-tert-butylphenoxy)ethanol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCO
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Product OPENEYE NAME: 3-phenoxyphenol
CAS Name: 3-phenoxyphenol
IUPAC NAME: 3-phenoxyphenol
SYSTEMATIC NAME: 3-phenoxyphenol
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)O
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Product OPENEYE NAME: [2-(4-chlorophenyl)-1-methyl-ethyl] carbamate
CAS Name: carbamic acid 1-(4-chlorophenyl)propan-2-yl ester
IUPAC NAME: 1-(4-chlorophenyl)propan-2-yl carbamate
SYSTEMATIC NAME: 1-(4-chlorophenyl)propan-2-yl carbamate
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: CC(CC1=CC=C(C=C1)Cl)OC(=O)N
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Product OPENEYE NAME: 6-heptyltetrahydropyran-2-one
CAS Name: 6-heptyl-2-oxanone
IUPAC NAME: 6-heptyloxan-2-one
SYSTEMATIC NAME: 6-heptyloxan-2-one
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCCCCC1CCCC(=O)O1
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Product OPENEYE NAME: 2-(2-phenoxyethoxy)guanidine
CAS Name: 2-(2-phenoxyethoxy)guanidine
IUPAC NAME: 2-(2-phenoxyethoxy)guanidine
SYSTEMATIC NAME: 2-(2-phenoxyethoxy)guanidine
MOLECULAR FORMULA: C9H13N3O2
MOLECULAR WEIGHT: 195.21842
SMILES: C1=CC=C(C=C1)OCCON=C(N)N
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