Friday, June 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1,3-dibenzyl-2-oxo-imidazolidine-4,5-dicarboxylate
CAS Name: 2-oxo-1,3-bis(phenylmethyl)imidazolidine-4,5-dicarboxylate
IUPAC NAME: 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
SYSTEMATIC NAME: 2-oxidanylidene-1,3-bis(phenylmethyl)imidazolidine-4,5-dicarboxylate
MOLECULAR FORMULA: C19H16N2O5-2
MOLECULAR WEIGHT: 352.34074
SMILES: C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 3-(2-aminobenzimidazol-1-yl)-2-nitro-benzenesulfonate
CAS Name: 3-(2-amino-1-benzimidazolyl)-2-nitrobenzenesulfonate
IUPAC NAME: 3-(2-aminobenzimidazol-1-yl)-2-nitrobenzenesulfonate
SYSTEMATIC NAME: 3-(2-azanylbenzimidazol-1-yl)-2-nitro-benzenesulfonate
MOLECULAR FORMULA: C13H9N4O5S-
MOLECULAR WEIGHT: 333.29936
SMILES: C1=CC=C2C(=C1)N=C(N2C3=C(C(=CC=C3)S(=O)(=O)[O-])[N+](=O)[O-])N
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Product OPENEYE NAME: 3-(2-aminobenzimidazol-1-yl)-2-nitro-benzenesulfonic acid
CAS Name: 3-(2-amino-1-benzimidazolyl)-2-nitrobenzenesulfonic acid
IUPAC NAME: 3-(2-aminobenzimidazol-1-yl)-2-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 3-(2-azanylbenzimidazol-1-yl)-2-nitro-benzenesulfonic acid
MOLECULAR FORMULA: C13H10N4O5S
MOLECULAR WEIGHT: 334.3073
SMILES: C1=CC=C2C(=C1)N=C(N2C3=C(C(=CC=C3)S(=O)(=O)O)[N+](=O)[O-])N
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Product OPENEYE NAME: 1-(3-nitrophenyl)sulfonylbenzimidazol-2-amine
CAS Name: 1-(3-nitrophenyl)sulfonyl-2-benzimidazolamine
IUPAC NAME: 1-(3-nitrophenyl)sulfonylbenzimidazol-2-amine
SYSTEMATIC NAME: 1-(3-nitrophenyl)sulfonylbenzimidazol-2-amine
MOLECULAR FORMULA: C13H10N4O4S
MOLECULAR WEIGHT: 318.3079
SMILES: C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N
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Product OPENEYE NAME: (2-amino-1-isopropylsulfonyl-benzimidazol-5-yl)-phenyl-methanone
CAS Name: (2-amino-1-propan-2-ylsulfonyl-5-benzimidazolyl)-phenylmethanone
IUPAC NAME: (2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-phenylmethanone
SYSTEMATIC NAME: (2-azanyl-1-propan-2-ylsulfonyl-benzimidazol-5-yl)-phenyl-methanone
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC(C)S(=O)(=O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1N
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Product OPENEYE NAME: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)propan-1-one
CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-propanone
IUPAC NAME: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)propan-1-one
SYSTEMATIC NAME: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)propan-1-one
MOLECULAR FORMULA: C13H17N3O3S
MOLECULAR WEIGHT: 295.35738
SMILES: CCC(=O)C1=CC2=C(C=C1)N=C(N2S(=O)(=O)C(C)C)N
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Product OPENEYE NAME: tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethyl-silane; 2-naphthyl 2-hydroxypropanoate
CAS Name: tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane; 2-hydroxypropanoic acid 2-naphthalenyl ester
IUPAC NAME: tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane; naphthalen-2-yl 2-hydroxypropanoate
SYSTEMATIC NAME: tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethyl-silane; naphthalen-2-yl 2-oxidanylpropanoate
MOLECULAR FORMULA: C25H42O4Si2
MOLECULAR WEIGHT: 462.76958
SMILES: CC(C(=O)OC1=CC2=CC=CC=C2C=C1)O.CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: 2-(3,3-difluoro-2,4-dihydroxy-cyclopentyl)acetic acid
CAS Name: 2-(3,3-difluoro-2,4-dihydroxycyclopentyl)acetic acid
IUPAC NAME: 2-(3,3-difluoro-2,4-dihydroxycyclopentyl)acetic acid
SYSTEMATIC NAME: 2-[3,3-bis(fluoranyl)-2,4-bis(oxidanyl)cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C7H10F2O4
MOLECULAR WEIGHT: 196.148706
SMILES: C1C(C(C(C1O)(F)F)O)CC(=O)O
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Product OPENEYE NAME: 2-(3,3-difluoro-2,5-dihydroxy-4-iodo-cyclopentyl)acetic acid
CAS Name: 2-(3,3-difluoro-2,5-dihydroxy-4-iodocyclopentyl)acetic acid
IUPAC NAME: 2-(3,3-difluoro-2,5-dihydroxy-4-iodocyclopentyl)acetic acid
SYSTEMATIC NAME: 2-[3,3-bis(fluoranyl)-4-iodanyl-2,5-bis(oxidanyl)cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C7H9F2IO4
MOLECULAR WEIGHT: 322.045236
SMILES: C(C1C(C(C(C1O)(F)F)I)O)C(=O)O
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Product OPENEYE NAME: methyl 2-(3,3-difluoro-2,4-dihydroxy-cyclopentyl)acetate
CAS Name: 2-(3,3-difluoro-2,4-dihydroxycyclopentyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(3,3-difluoro-2,4-dihydroxycyclopentyl)acetate
SYSTEMATIC NAME: methyl 2-[3,3-bis(fluoranyl)-2,4-bis(oxidanyl)cyclopentyl]ethanoate
MOLECULAR FORMULA: C8H12F2O4
MOLECULAR WEIGHT: 210.175286
SMILES: COC(=O)CC1CC(C(C1O)(F)F)O
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Product OPENEYE NAME: sodium 5-(triphenyl-$l^{5}-phosphanylidene)pentanoic acid
CAS Name: sodium 5-triphenylphosphoranylidenepentanoic acid
IUPAC NAME: sodium 5-(triphenyl-$l^{5}-phosphanylidene)pentanoic acid
SYSTEMATIC NAME: sodium 5-(triphenyl-$l^{5}-phosphanylidene)pentanoic acid
MOLECULAR FORMULA: C23H23NaO2P+
MOLECULAR WEIGHT: 385.391051
SMILES: C1=CC=C(C=C1)P(=CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: 2-(2-methylallyloxy)cyclohexanone
CAS Name: 2-(2-methylprop-2-enoxy)-1-cyclohexanone
IUPAC NAME: 2-(2-methylprop-2-enoxy)cyclohexan-1-one
SYSTEMATIC NAME: 2-(2-methylprop-2-enoxy)cyclohexan-1-one
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=C)COC1CCCCC1=O
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Product OPENEYE NAME: 2-[(3-butyl-4-hydroxy-5-octyl-phenyl)methyl]propanedioic acid
CAS Name: 2-[(3-butyl-4-hydroxy-5-octylphenyl)methyl]propanedioic acid
IUPAC NAME: 2-[(3-butyl-4-hydroxy-5-octylphenyl)methyl]propanedioic acid
SYSTEMATIC NAME: 2-[(3-butyl-5-octyl-4-oxidanyl-phenyl)methyl]propanedioic acid
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CCCCCCCCC1=CC(=CC(=C1O)CCCC)CC(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-tert-butyl-6-ethyl-4-(hydroxymethyl)phenol
CAS Name: 2-tert-butyl-6-ethyl-4-(hydroxymethyl)phenol
IUPAC NAME: 2-tert-butyl-6-ethyl-4-(hydroxymethyl)phenol
SYSTEMATIC NAME: 2-tert-butyl-6-ethyl-4-(hydroxymethyl)phenol
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CCC1=C(C(=CC(=C1)CO)C(C)(C)C)O
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid
CAS Name: 3-bicyclo[2.2.1]hepta-1,3,5-trienol; 2,2-dioctylpropanedioic acid
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid
MOLECULAR FORMULA: C26H42O5
MOLECULAR WEIGHT: 434.60868
SMILES: CCCCCCCCC(CCCCCCCC)(C(=O)O)C(=O)O.C1C2=CC(=C1C=C2)O
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Product OPENEYE NAME: 2,2-dioctylpropanedioic acid
CAS Name: 2,2-dioctylpropanedioic acid
IUPAC NAME: 2,2-dioctylpropanedioic acid
SYSTEMATIC NAME: 2,2-dioctylpropanedioic acid
MOLECULAR FORMULA: C19H36O4
MOLECULAR WEIGHT: 328.48674
SMILES: CCCCCCCCC(CCCCCCCC)(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-ethyl-4-(hydroxymethyl)-6-methyl-phenol
CAS Name: 2-ethyl-4-(hydroxymethyl)-6-methylphenol
IUPAC NAME: 2-ethyl-4-(hydroxymethyl)-6-methylphenol
SYSTEMATIC NAME: 2-ethyl-4-(hydroxymethyl)-6-methyl-phenol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CCC1=CC(=CC(=C1O)C)CO
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Product OPENEYE NAME: 2,6-diheptyl-4-(hydroxymethyl)phenol
CAS Name: 2,6-diheptyl-4-(hydroxymethyl)phenol
IUPAC NAME: 2,6-diheptyl-4-(hydroxymethyl)phenol
SYSTEMATIC NAME: 2,6-diheptyl-4-(hydroxymethyl)phenol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: CCCCCCCC1=CC(=CC(=C1O)CCCCCCC)CO
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-ditert-butylpropanedioic acid
CAS Name: 3-bicyclo[2.2.1]hepta-1,3,5-trienol; 2,2-ditert-butylpropanedioic acid
IUPAC NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-ditert-butylpropanedioic acid
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-ditert-butylpropanedioic acid
MOLECULAR FORMULA: C18H26O5
MOLECULAR WEIGHT: 322.39604
SMILES: CC(C)(C)C(C(=O)O)(C(=O)O)C(C)(C)C.C1C2=CC(=C1C=C2)O
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Product OPENEYE NAME: 2,2-ditert-butylpropanedioic acid
CAS Name: 2,2-ditert-butylpropanedioic acid
IUPAC NAME: 2,2-ditert-butylpropanedioic acid
SYSTEMATIC NAME: 2,2-ditert-butylpropanedioic acid
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CC(C)(C)C(C(=O)O)(C(=O)O)C(C)(C)C
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Product OPENEYE NAME: 2-tert-butyl-6-heptyl-4-(hydroxymethyl)phenol
CAS Name: 2-tert-butyl-6-heptyl-4-(hydroxymethyl)phenol
IUPAC NAME: 2-tert-butyl-6-heptyl-4-(hydroxymethyl)phenol
SYSTEMATIC NAME: 2-tert-butyl-6-heptyl-4-(hydroxymethyl)phenol
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CCCCCCCC1=C(C(=CC(=C1)CO)C(C)(C)C)O
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