Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-nitrophenyl)aziridine-1-carboxamide
CAS Name: N-(4-nitrophenyl)-1-aziridinecarboxamide
IUPAC NAME: N-(4-nitrophenyl)aziridine-1-carboxamide
SYSTEMATIC NAME: N-(4-nitrophenyl)aziridine-1-carboxamide
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: C1CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-(1-naphthyl)azirine-1-carboxamide
CAS Name: N-(1-naphthalenyl)-1-azirinecarboxamide
IUPAC NAME: N-naphthalen-1-ylazirine-1-carboxamide
SYSTEMATIC NAME: N-naphthalen-1-ylazirine-1-carboxamide
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)N3C=C3
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Product OPENEYE NAME: diundecyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid diundecyl ester
IUPAC NAME: diundecyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: diundecyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C30H50O4
MOLECULAR WEIGHT: 474.7156
SMILES: CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC
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Product OPENEYE NAME: diheptyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid diheptyl ester
IUPAC NAME: diheptyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: diheptyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
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Product OPENEYE NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline chloride
CAS Name: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline chloride
IUPAC NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
MOLECULAR FORMULA: C22H26Cl2N2
MOLECULAR WEIGHT: 389.36124
SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]
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Product OPENEYE NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline
CAS Name: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline
IUPAC NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
SYSTEMATIC NAME: N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
MOLECULAR FORMULA: C22H26ClN2+
MOLECULAR WEIGHT: 353.90824
SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C
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Product OPENEYE NAME: methyl (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CAS Name: (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
IUPAC NAME: methyl (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: C[C@]12CCC[C@](C1CCC3=CC=CC=C23)(C)C(=O)OC
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Product OPENEYE NAME: diallyl(dichloro)silane
CAS Name: dichloro-bis(prop-2-enyl)silane
IUPAC NAME: dichloro-bis(prop-2-enyl)silane
SYSTEMATIC NAME: bis(chloranyl)-bis(prop-2-enyl)silane
MOLECULAR FORMULA: C6H10Cl2Si
MOLECULAR WEIGHT: 181.1351
SMILES: C=CC[Si](CC=C)(Cl)Cl
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Product OPENEYE NAME: N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide
CAS Name: N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC NAME: N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C9H8N4OS
MOLECULAR WEIGHT: 220.25102
SMILES: CC(=O)NC1=NN=C(S1)C2=CC=NC=C2
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Product OPENEYE NAME: 2-methyl-9H-carbazole
CAS Name: 2-methyl-9H-carbazole
IUPAC NAME: 2-methyl-9H-carbazole
SYSTEMATIC NAME: 2-methyl-9H-carbazole
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: CC1=CC2=C(C=C1)C3=CC=CC=C3N2
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: C1CCCN(CC1)CC2COC3=CC=CC=C3O2
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Product OPENEYE NAME: [2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloro-ethyl] 2,2-dichloroacetate
CAS Name: 2,2-dichloroacetic acid [2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloroethyl] ester
IUPAC NAME: [2-[acetyl-[(4-methylsulfonylphenyl)methyl]amino]-2,2-dichloroethyl] 2,2-dichloroacetate
SYSTEMATIC NAME: [2,2-bis(chloranyl)-2-[ethanoyl-[(4-methylsulfonylphenyl)methyl]amino]ethyl] 2,2-bis(chloranyl)ethanoate
MOLECULAR FORMULA: C14H15Cl4NO5S
MOLECULAR WEIGHT: 451.1496
SMILES: CC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)C)C(COC(=O)C(Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: disodium 3-[2-carboxylatoethyl(dodecyl)amino]propanoate
CAS Name: disodium 3-[2-carboxylatoethyl(dodecyl)amino]propanoate
IUPAC NAME: disodium 3-[2-carboxylatoethyl(dodecyl)amino]propanoate
SYSTEMATIC NAME: disodium 3-[dodecyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate
MOLECULAR FORMULA: C18H33NNa2O4
MOLECULAR WEIGHT: 373.43846
SMILES: CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 3-[2-carboxyethyl(dodecyl)amino]propanoic acid
CAS Name: 3-[2-carboxyethyl(dodecyl)amino]propanoic acid
IUPAC NAME: 3-[2-carboxyethyl(dodecyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[dodecyl(3-hydroxy-3-oxopropyl)amino]propanoic acid
MOLECULAR FORMULA: C18H35NO4
MOLECULAR WEIGHT: 329.4748
SMILES: CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
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Product OPENEYE NAME: 2-(5-methyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid
CAS Name: 2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
IUPAC NAME: 2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
SYSTEMATIC NAME: 2-(5-methyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethanoic acid
MOLECULAR FORMULA: C6H10N2O2S2
MOLECULAR WEIGHT: 206.2858
SMILES: CN1CN(CSC1=S)CC(=O)O
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Product OPENEYE NAME: 2-(phenylazomethyl)propanedinitrile
CAS Name: 2-(phenyldiazenylmethyl)propanedinitrile
IUPAC NAME: 2-(phenyldiazenylmethyl)propanedinitrile
SYSTEMATIC NAME: 2-(phenyldiazenylmethyl)propanedinitrile
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: C1=CC=C(C=C1)N=NCC(C#N)C#N
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