Wednesday, August 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-phenyl-1-(2-thienyl)prop-2-en-1-one
CAS Name: 3-phenyl-1-thiophen-2-yl-2-propen-1-one
IUPAC NAME: 3-phenyl-1-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: 3-phenyl-1-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H10OS
MOLECULAR WEIGHT: 214.2829
SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2
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Product OPENEYE NAME: octyl dihydrogen phosphate
CAS Name: octyl dihydrogen phosphate
IUPAC NAME: octyl dihydrogen phosphate
SYSTEMATIC NAME: octyl dihydrogen phosphate
MOLECULAR FORMULA: C8H19O4P
MOLECULAR WEIGHT: 210.207821
SMILES: CCCCCCCCOP(=O)(O)O
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Product OPENEYE NAME: ethyl 2-cyano-2-(m-tolylhydrazono)acetate
CAS Name: 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]ethanoate
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CCOC(=O)C(=NNC1=CC=CC(=C1)C)C#N
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Product OPENEYE NAME: ethyl 2-[(4-chlorophenyl)hydrazono]-2-cyano-acetate
CAS Name: 2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C#N
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Product OPENEYE NAME: 1-methyl-4-nitro-pyrazole
CAS Name: 1-methyl-4-nitropyrazole
IUPAC NAME: 1-methyl-4-nitropyrazole
SYSTEMATIC NAME: 1-methyl-4-nitro-pyrazole
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CN1C=C(C=N1)[N+](=O)[O-]
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Product OPENEYE NAME: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CAS Name: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C10H8Cl2N4
MOLECULAR WEIGHT: 255.10332
SMILES: CN(C1=CC=CC=C1)C2=NC(=NC(=N2)Cl)Cl
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Product OPENEYE NAME: 6-chloro-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C17H16ClN5
MOLECULAR WEIGHT: 325.79544
SMILES: CN(C1=CC=CC=C1)C2=NC(=NC(=N2)Cl)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: 6-tert-butyl-3-methyl-2,4-dinitro-phenol
CAS Name: 6-tert-butyl-3-methyl-2,4-dinitrophenol
IUPAC NAME: 6-tert-butyl-3-methyl-2,4-dinitrophenol
SYSTEMATIC NAME: 6-tert-butyl-3-methyl-2,4-dinitro-phenol
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
CAS Name: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
IUPAC NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
SYSTEMATIC NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
MOLECULAR FORMULA: C23H30ClN
MOLECULAR WEIGHT: 355.944
SMILES: C1CC2CCC1C[NH+](C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
CAS Name: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
IUPAC NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
SYSTEMATIC NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
MOLECULAR FORMULA: C23H29N
MOLECULAR WEIGHT: 319.48306
SMILES: C1CC2CCC1CN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-ethyl-5-methyl-pyridine
CAS Name: 3-ethyl-5-methylpyridine
IUPAC NAME: 3-ethyl-5-methylpyridine
SYSTEMATIC NAME: 3-ethyl-5-methyl-pyridine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CCC1=CN=CC(=C1)C
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Product OPENEYE NAME: 1,2,3-triaminoguanidine nitrate
CAS Name: 1,2,3-triaminoguanidine nitrate
IUPAC NAME: 1,2,3-triaminoguanidine nitrate
SYSTEMATIC NAME: 1,2,3-tris(azanyl)guanidine nitrate
MOLECULAR FORMULA: CH8N7O3-
MOLECULAR WEIGHT: 166.11932
SMILES: C(=NN)(NN)NN.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 1,2,3-triaminoguanidine
CAS Name: 1,2,3-triaminoguanidine
IUPAC NAME: 1,2,3-triaminoguanidine
SYSTEMATIC NAME: 1,2,3-tris(azanyl)guanidine
MOLECULAR FORMULA: CH8N6
MOLECULAR WEIGHT: 104.11442
SMILES: C(=NN)(NN)NN
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Product OPENEYE NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
CAS Name: 2,4-dimethoxy-6-methyl-1,3,5-triazine
IUPAC NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
SYSTEMATIC NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CC1=NC(=NC(=N1)OC)OC
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Product OPENEYE NAME: 2-(2,5-dichlorophenyl)azopropanedinitrile
CAS Name: 2-(2,5-dichlorophenyl)azopropanedinitrile
IUPAC NAME: 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]diazenyl]propanedinitrile
MOLECULAR FORMULA: C9H4Cl2N4
MOLECULAR WEIGHT: 239.06086
SMILES: C1=CC(=C(C=C1Cl)N=NC(C#N)C#N)Cl
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