Monday, August 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-(2-amino-1-hydroxy-butyl)benzene-1,2-diol hydrochloride
CAS Name: 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol hydrochloride
IUPAC NAME: 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-(2-azanyl-1-oxidanyl-butyl)benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C10H16ClNO3
MOLECULAR WEIGHT: 233.69194
SMILES: CCC(C(C1=CC(=C(C=C1)O)O)O)N.Cl
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Product OPENEYE NAME: 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
CAS Name: 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
IUPAC NAME: 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
SYSTEMATIC NAME: 2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
MOLECULAR FORMULA: C21H24O3Si3
MOLECULAR WEIGHT: 408.66996
SMILES: C[Si]1(O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]ammonium dihydroxide
CAS Name: trimethyl-[3-[4-[2-(1-methyl-3-indolyl)ethyl]-1-pyridin-1-iumyl]propyl]ammonium dihydroxide
IUPAC NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dihydroxide
SYSTEMATIC NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dihydroxide
MOLECULAR FORMULA: C22H33N3O2
MOLECULAR WEIGHT: 371.51632
SMILES: CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[OH-].[OH-]
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Product OPENEYE NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]ammonium
CAS Name: trimethyl-[3-[4-[2-(1-methyl-3-indolyl)ethyl]-1-pyridin-1-iumyl]propyl]ammonium
IUPAC NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
SYSTEMATIC NAME: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
MOLECULAR FORMULA: C22H31N3+2
MOLECULAR WEIGHT: 337.50164
SMILES: CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C
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Product OPENEYE NAME: dimethylammonium; 2,3,6-trichlorobenzoate
CAS Name: dimethylammonium; 2,3,6-trichlorobenzoate
IUPAC NAME: dimethylazanium; 2,3,6-trichlorobenzoate
SYSTEMATIC NAME: dimethylazanium; 2,3,6-tris(chloranyl)benzoate
MOLECULAR FORMULA: C9H10Cl3NO2
MOLECULAR WEIGHT: 270.5402
SMILES: C[NH2+]C.C1=CC(=C(C(=C1Cl)C(=O)[O-])Cl)Cl
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Product OPENEYE NAME: 6-chloro-N2,N4-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N2,N4-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H20ClN5O2
MOLECULAR WEIGHT: 289.7618
SMILES: COCCCNC1=NC(=NC(=N1)Cl)NCCCOC
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Product OPENEYE NAME: benzyl N-hydroxycarbamate
CAS Name: N-hydroxycarbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-hydroxycarbamate
SYSTEMATIC NAME: (phenylmethyl) N-oxidanylcarbamate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: C1=CC=C(C=C1)COC(=O)NO
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Product OPENEYE NAME: dichloro(phenoxy)phosphane
CAS Name: dichloro(phenoxy)phosphine
IUPAC NAME: dichloro(phenoxy)phosphane
SYSTEMATIC NAME: bis(chloranyl)-phenoxy-phosphane
MOLECULAR FORMULA: C6H5Cl2OP
MOLECULAR WEIGHT: 194.983061
SMILES: C1=CC=C(C=C1)OP(Cl)Cl
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Product OPENEYE NAME: 4,5-dichlorobenzene-1,2-diol
CAS Name: 4,5-dichlorobenzene-1,2-diol
IUPAC NAME: 4,5-dichlorobenzene-1,2-diol
SYSTEMATIC NAME: 4,5-bis(chloranyl)benzene-1,2-diol
MOLECULAR FORMULA: C6H4Cl2O2
MOLECULAR WEIGHT: 179.00076
SMILES: C1=C(C(=CC(=C1Cl)Cl)O)O
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Product OPENEYE NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
CAS Name: 9-methyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
IUPAC NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
SYSTEMATIC NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
MOLECULAR FORMULA: C8H18Cl2N2
MOLECULAR WEIGHT: 213.14792
SMILES: CN1C2CCCC1CNC2.Cl.Cl
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Product OPENEYE NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane
CAS Name: 9-methyl-3,9-diazabicyclo[3.3.1]nonane
IUPAC NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-methyl-3,9-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: CN1C2CCCC1CNC2
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Product OPENEYE NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
CAS Name: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
IUPAC NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
SYSTEMATIC NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane dihydrochloride
MOLECULAR FORMULA: C9H20Cl2N2
MOLECULAR WEIGHT: 227.1745
SMILES: CC1CC2CN(CC(C1)N2)C.Cl.Cl
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Product OPENEYE NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane
CAS Name: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane
IUPAC NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: CC1CC2CN(CC(C1)N2)C
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Product OPENEYE NAME: 1,3-benzothiazol-2-yl N,N-dimethylcarbamodithioate
CAS Name: N,N-dimethylcarbamodithioic acid 1,3-benzothiazol-2-yl ester
IUPAC NAME: 1,3-benzothiazol-2-yl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: 1,3-benzothiazol-2-yl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C10H10N2S3
MOLECULAR WEIGHT: 254.3948
SMILES: CN(C)C(=S)SC1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: ethyl 9-oxononanoate
CAS Name: 9-oxononanoic acid ethyl ester
IUPAC NAME: ethyl 9-oxononanoate
SYSTEMATIC NAME: ethyl 9-oxidanylidenenonanoate
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: CCOC(=O)CCCCCCCC=O
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-2-fluoro-acetamide
CAS Name: N-(2,5-dichlorophenyl)-2-fluoroacetamide
IUPAC NAME: N-(2,5-dichlorophenyl)-2-fluoroacetamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-2-fluoranyl-ethanamide
MOLECULAR FORMULA: C8H6Cl2FNO
MOLECULAR WEIGHT: 222.043743
SMILES: C1=CC(=C(C=C1Cl)NC(=O)CF)Cl
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Product OPENEYE NAME: 2-fluoro-N-(2-nitrophenyl)acetamide
CAS Name: 2-fluoro-N-(2-nitrophenyl)acetamide
IUPAC NAME: 2-fluoro-N-(2-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-fluoranyl-N-(2-nitrophenyl)ethanamide
MOLECULAR FORMULA: C8H7FN2O3
MOLECULAR WEIGHT: 198.151183
SMILES: C1=CC=C(C(=C1)NC(=O)CF)[N+](=O)[O-]
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Product OPENEYE NAME: 2-fluoro-N-(3-nitrophenyl)acetamide
CAS Name: 2-fluoro-N-(3-nitrophenyl)acetamide
IUPAC NAME: 2-fluoro-N-(3-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-fluoranyl-N-(3-nitrophenyl)ethanamide
MOLECULAR FORMULA: C8H7FN2O3
MOLECULAR WEIGHT: 198.151183
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CF
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Product OPENEYE NAME: N-propylazepan-1-amine
CAS Name: N-propyl-1-azepanamine
IUPAC NAME: N-propylazepan-1-amine
SYSTEMATIC NAME: N-propylazepan-1-amine
MOLECULAR FORMULA: C9H20N2
MOLECULAR WEIGHT: 156.2685
SMILES: CCCNN1CCCCCC1
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