Thursday, August 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[1-[[4-[2-[4-[2-(3-carboxypropanoyloxy)-3-(2-methylprop-2-enoyloxy)propoxy]-3-[(E)-prop-1-enyl]phenyl]propyl]-2-[(E)-prop-1-enyl]phenoxy]methyl]-2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxo-butanoic acid
CAS Name: 4-[1-[4-[2-[4-[2-(3-carboxy-1-oxopropoxy)-3-(2-methyl-1-oxoprop-2-enoxy)propoxy]-3-[(E)-prop-1-enyl]phenyl]propyl]-2-[(E)-prop-1-enyl]phenoxy]-3-(2-methyl-1-oxoprop-2-enoxy)propan-2-yl]oxy-4-oxobutanoic acid
IUPAC NAME: 4-[1-[4-[2-[4-[2-(3-carboxypropanoyloxy)-3-(2-methylprop-2-enoyloxy)propoxy]-3-[(E)-prop-1-enyl]phenyl]propyl]-2-[(E)-prop-1-enyl]phenoxy]-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxy-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[1-(2-methylprop-2-enoyloxy)-3-[4-[2-[4-[3-(2-methylprop-2-enoyloxy)-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propoxy]-3-[(E)-prop-1-enyl]phenyl]propyl]-2-[(E)-prop-1-enyl]phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C43H52O14
MOLECULAR WEIGHT: 792.86458
SMILES: C/C=C/C1=C(C=CC(=C1)CC(C)C2=CC(=C(C=C2)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)O)/C=C/C)OCC(COC(=O)C(=C)C)OC(=O)CCC(=O)O
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Product OPENEYE NAME: 2-[1-(2-hydroxy-4,5-dimethyl-phenyl)nonyl]-4,5-dimethyl-phenol
CAS Name: 2-[1-(2-hydroxy-4,5-dimethylphenyl)nonyl]-4,5-dimethylphenol
IUPAC NAME: 2-[1-(2-hydroxy-4,5-dimethylphenyl)nonyl]-4,5-dimethylphenol
SYSTEMATIC NAME: 2-[1-(4,5-dimethyl-2-oxidanyl-phenyl)nonyl]-4,5-dimethyl-phenol
MOLECULAR FORMULA: C25H36O2
MOLECULAR WEIGHT: 368.55214
SMILES: CCCCCCCCC(C1=C(C=C(C(=C1)C)C)O)C2=C(C=C(C(=C2)C)C)O
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Product OPENEYE NAME: 2-decyloxazolidine-4,5-dione
CAS Name: 2-decyloxazolidine-4,5-dione
IUPAC NAME: 2-decyl-1,3-oxazolidine-4,5-dione
SYSTEMATIC NAME: 2-decyl-1,3-oxazolidine-4,5-dione
MOLECULAR FORMULA: C13H23NO3
MOLECULAR WEIGHT: 241.32662
SMILES: CCCCCCCCCCC1NC(=O)C(=O)O1
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Product OPENEYE NAME: 3-chloro-N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]propanamide
CAS Name: 3-chloro-N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]propanamide
IUPAC NAME: 3-chloro-N-[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]propanamide
SYSTEMATIC NAME: N-[1-[2,5-bis(chloranyl)phenyl]-5-oxidanylidene-4H-pyrazol-3-yl]-3-chloranyl-propanamide
MOLECULAR FORMULA: C12H10Cl3N3O2
MOLECULAR WEIGHT: 334.5857
SMILES: C1C(=NN(C1=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)CCCl
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Product OPENEYE NAME: [5-[2-chloro-5-(2-methylprop-2-enoylamino)anilino]-2-(2,4,6-trichlorophenyl)pyrazol-3-yl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [5-[2-chloro-5-[(2-methyl-1-oxoprop-2-enyl)amino]anilino]-2-(2,4,6-trichlorophenyl)-3-pyrazolyl] ester
IUPAC NAME: [5-[2-chloro-5-(2-methylprop-2-enoylamino)anilino]-2-(2,4,6-trichlorophenyl)pyrazol-3-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [5-[[2-chloranyl-5-(2-methylprop-2-enoylamino)phenyl]amino]-2-[2,4,6-tris(chloranyl)phenyl]pyrazol-3-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C23H18Cl4N4O3
MOLECULAR WEIGHT: 540.22602
SMILES: CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=C2)OC(=O)C(=C)C)C3=C(C=C(C=C3Cl)Cl)Cl
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Product OPENEYE NAME: 1-isocyano-2-[(2-isocyanophenyl)methyl]benzene
CAS Name: 1-isocyano-2-[(2-isocyanophenyl)methyl]benzene
IUPAC NAME: 1-isocyano-2-[(2-isocyanophenyl)methyl]benzene
SYSTEMATIC NAME: 1-isocyano-2-[(2-isocyanophenyl)methyl]benzene
MOLECULAR FORMULA: C15H10N2
MOLECULAR WEIGHT: 218.2533
SMILES: [C-]#[N+]C1=CC=CC=C1CC2=CC=CC=C2[N+]#[C-]
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Product OPENEYE NAME: 2-(1-hydroxycyclohexyl)cyclohexane-1,1-diol
CAS Name: 2-(1-hydroxycyclohexyl)cyclohexane-1,1-diol
IUPAC NAME: 2-(1-hydroxycyclohexyl)cyclohexane-1,1-diol
SYSTEMATIC NAME: 2-(1-oxidanylcyclohexyl)cyclohexane-1,1-diol
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: C1CCC(CC1)(C2CCCCC2(O)O)O
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Product OPENEYE NAME: 1-[1,5-bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1,3,5-triazinan-2-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one
CAS Name: 1-[1,5-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1,3,5-triazinan-2-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanone
IUPAC NAME: 1-[1,5-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1,3,5-triazinan-2-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-[1,5-bis[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1,3,5-triazinan-2-yl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C54H81N3O6
MOLECULAR WEIGHT: 868.23744
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2NCN(CN2C(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 1,5-diaminohexan-3-ol
CAS Name: 1,5-diamino-3-hexanol
IUPAC NAME: 1,5-diaminohexan-3-ol
SYSTEMATIC NAME: 1,5-bis(azanyl)hexan-3-ol
MOLECULAR FORMULA: C6H16N2O
MOLECULAR WEIGHT: 132.20404
SMILES: CC(CC(CCN)O)N
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Product OPENEYE NAME: N1,N2-dicyanophthalamide
CAS Name: N1,N2-dicyanobenzene-1,2-dicarboxamide
IUPAC NAME: 1-N,2-N-dicyanobenzene-1,2-dicarboxamide
SYSTEMATIC NAME: N1,N2-dicyanobenzene-1,2-dicarboxamide
MOLECULAR FORMULA: C10H6N4O2
MOLECULAR WEIGHT: 214.18024
SMILES: C1=CC=C(C(=C1)C(=O)NC#N)C(=O)NC#N
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Product OPENEYE NAME: N1,N3-dicyanobenzene-1,3-dicarboxamide
CAS Name: N1,N3-dicyanobenzene-1,3-dicarboxamide
IUPAC NAME: 1-N,3-N-dicyanobenzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1,N3-dicyanobenzene-1,3-dicarboxamide
MOLECULAR FORMULA: C10H6N4O2
MOLECULAR WEIGHT: 214.18024
SMILES: C1=CC(=CC(=C1)C(=O)NC#N)C(=O)NC#N
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Product OPENEYE NAME: methyl-tris(6-methylheptoxy)silane
CAS Name: methyl-tris(6-methylheptoxy)silane
IUPAC NAME: methyl-tris(6-methylheptoxy)silane
SYSTEMATIC NAME: methyl-tris(6-methylheptoxy)silane
MOLECULAR FORMULA: C25H54O3Si
MOLECULAR WEIGHT: 430.77996
SMILES: CC(C)CCCCCO[Si](C)(OCCCCCC(C)C)OCCCCCC(C)C
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