Wednesday, August 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N'-(1-phenylethyl)acetohydrazide
CAS Name: N'-(1-phenylethyl)acetohydrazide
IUPAC NAME: N'-(1-phenylethyl)acetohydrazide
SYSTEMATIC NAME: N'-(1-phenylethyl)ethanehydrazide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C1=CC=CC=C1)NNC(=O)C
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Product OPENEYE NAME: 1,3,5-trimethyl-2-phenyl-benzene
CAS Name: 1,3,5-trimethyl-2-phenylbenzene
IUPAC NAME: 1,3,5-trimethyl-2-phenylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-phenyl-benzene
MOLECULAR FORMULA: C15H16
MOLECULAR WEIGHT: 196.28754
SMILES: CC1=CC(=C(C(=C1)C)C2=CC=CC=C2)C
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Product OPENEYE NAME: 3,4-dichlorobenzene-1,2-diol
CAS Name: 3,4-dichlorobenzene-1,2-diol
IUPAC NAME: 3,4-dichlorobenzene-1,2-diol
SYSTEMATIC NAME: 3,4-bis(chloranyl)benzene-1,2-diol
MOLECULAR FORMULA: C6H4Cl2O2
MOLECULAR WEIGHT: 179.00076
SMILES: C1=CC(=C(C(=C1O)O)Cl)Cl
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Product OPENEYE NAME: 4-tert-butylpyridine
CAS Name: 4-tert-butylpyridine
IUPAC NAME: 4-tert-butylpyridine
SYSTEMATIC NAME: 4-tert-butylpyridine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC(C)(C)C1=CC=NC=C1
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Product OPENEYE NAME: hydrogen sulfate; (1-phenylethylamino)ammonium
CAS Name: hydrogen sulfate; (1-phenylethylamino)ammonium
IUPAC NAME: hydrogen sulfate; (1-phenylethylamino)azanium
SYSTEMATIC NAME: hydrogen sulfate; (1-phenylethylamino)azanium
MOLECULAR FORMULA: C8H14N2O4S
MOLECULAR WEIGHT: 234.27276
SMILES: CC(C1=CC=CC=C1)N[NH3+].OS(=O)(=O)[O-]
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Product OPENEYE NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[[(2R,5S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2R,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O9
MOLECULAR WEIGHT: 536.65426
SMILES: CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)O)O)O
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Product OPENEYE NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-10,13-dimethyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,12,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O10
MOLECULAR WEIGHT: 552.65366
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@@]3(C4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O
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Product OPENEYE NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
CAS Name: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
IUPAC NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
SYSTEMATIC NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
MOLECULAR FORMULA: C28H32O2Si3
MOLECULAR WEIGHT: 484.80898
SMILES: C[Si](C)(O[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: trichloro(thioxo)-$l^{5}-phosphane
CAS Name: trichloro(sulfanylidene)phosphorane
IUPAC NAME: trichloro(sulfanylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: tris(chloranyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: Cl3PS
MOLECULAR WEIGHT: 169.397761
SMILES: P(=S)(Cl)(Cl)Cl
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Product OPENEYE NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=CC=C1[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=CC=C1[N+](C)(C)C
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Product OPENEYE NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C
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Product OPENEYE NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C
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Product OPENEYE NAME: chromene-2-thione
CAS Name: 1-benzopyran-2-thione
IUPAC NAME: chromene-2-thione
SYSTEMATIC NAME: chromene-2-thione
MOLECULAR FORMULA: C9H6OS
MOLECULAR WEIGHT: 162.20834
SMILES: C1=CC=C2C(=C1)C=CC(=S)O2
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