Friday, July 29, 2011

http://ChemLookup.com Compounds




CAS RN: 15551-25-4
CAS Name: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylammonium
OPENEYE Name: ferric; 4-methylbenzene-1,2-dithiolate; tetrabutylammonium
IUPAC Name: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylazanium
SYSTEMATIC NAME: iron(3+); 4-methylbenzene-1,2-dithiolate; tetrabutylazanium
MOLECULAR FORMULA: C30H48FeNS4
MOLECULAR WEIGHT: 606.81382
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Fe+3]
Structure:

CAS RN: 14876-47-2
CAS Name: iron; 2,2,6,6-tetramethylheptane-3,5-dione
OPENEYE Name: iron; 2,2,6,6-tetramethylheptane-3,5-dione
IUPAC Name: iron; 2,2,6,6-tetramethylheptane-3,5-dione
SYSTEMATIC NAME: iron; 2,2,6,6-tetramethylheptane-3,5-dione
MOLECULAR FORMULA: C33H60FeO6
MOLECULAR WEIGHT: 608.6709
SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Fe]
Structure:

CAS RN: 16664-01-0
CAS Name: 1-(N-nitrosoanilino)ethanesulfonic acid; sodium
OPENEYE Name: 1-(N-nitrosoanilino)ethanesulfonic acid; sodium
IUPAC Name: 1-(N-nitrosoanilino)ethanesulfonic acid; sodium
SYSTEMATIC NAME: 1-[nitroso(phenyl)amino]ethanesulfonic acid; sodium
MOLECULAR FORMULA: C8H10N2NaO4S
MOLECULAR WEIGHT: 253.23077
SMILES: CC(N(C1=CC=CC=C1)N=O)S(=O)(=O)O.[Na]
Structure:

CAS RN: 16663-99-3
CAS Name: (N-nitrosoanilino)methanesulfonic acid; sodium
OPENEYE Name: (N-nitrosoanilino)methanesulfonic acid; sodium
IUPAC Name: (N-nitrosoanilino)methanesulfonic acid; sodium
SYSTEMATIC NAME: [nitroso(phenyl)amino]methanesulfonic acid; sodium
MOLECULAR FORMULA: C7H8N2NaO4S
MOLECULAR WEIGHT: 239.20419
SMILES: C1=CC=C(C=C1)N(CS(=O)(=O)O)N=O.[Na]
Structure:

CAS RN: 32380-90-8
CAS Name: 2-(2,2-dimethyl-5-oxo-1-imidazolidinyl)acetic acid; sodium
OPENEYE Name: 2-(2,2-dimethyl-5-oxo-imidazolidin-1-yl)acetic acid; sodium
IUPAC Name: 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetic acid; sodium
SYSTEMATIC NAME: 2-(2,2-dimethyl-5-oxidanylidene-imidazolidin-1-yl)ethanoic acid; sodium
MOLECULAR FORMULA: C7H12N2NaO3
MOLECULAR WEIGHT: 195.17155
SMILES: CC1(NCC(=O)N1CC(=O)O)C.[Na]
Structure:

CAS RN: 32319-36-1
CAS Name: 2-(8-oxo-6,9-diazaspiro[4.4]nonan-9-yl)acetic acid; sodium
OPENEYE Name: 2-(8-oxo-6,9-diazaspiro[4.4]nonan-9-yl)acetic acid; sodium
IUPAC Name: 2-(8-oxo-6,9-diazaspiro[4.4]nonan-9-yl)acetic acid; sodium
SYSTEMATIC NAME: 2-(8-oxidanylidene-6,9-diazaspiro[4.4]nonan-9-yl)ethanoic acid; sodium
MOLECULAR FORMULA: C9H14N2NaO3
MOLECULAR WEIGHT: 221.20883
SMILES: C1CCC2(C1)NCC(=O)N2CC(=O)O.[Na]
Structure:

CAS RN: 32380-97-5
CAS Name: 2-(3-oxo-1,4-diazaspiro[4.5]decan-4-yl)acetic acid; sodium
OPENEYE Name: 2-(3-oxo-1,4-diazaspiro[4.5]decan-4-yl)acetic acid; sodium
IUPAC Name: 2-(3-oxo-1,4-diazaspiro[4.5]decan-4-yl)acetic acid; sodium
SYSTEMATIC NAME: 2-(3-oxidanylidene-1,4-diazaspiro[4.5]decan-4-yl)ethanoic acid; sodium
MOLECULAR FORMULA: C10H16N2NaO3
MOLECULAR WEIGHT: 235.23541
SMILES: C1CCC2(CC1)NCC(=O)N2CC(=O)O.[Na]
Structure:

CAS RN: 37707-94-1
CAS Name: 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline hydrochloride
OPENEYE Name: 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline hydrochloride
IUPAC Name: 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline hydrochloride
SYSTEMATIC NAME: 8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline hydrochloride
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: COC1=C(C=C2C3=C(CCNC3)C=CC2=C1)OC.Cl
Structure:

CAS RN: 37707-96-3
CAS Name: 8,9-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-benzo[h]isoquinoline hydrochloride
OPENEYE Name: 2-benzyl-8,9-dimethoxy-3,4-dihydro-1H-benzo[h]isoquinoline hydrochloride
IUPAC Name: 2-benzyl-8,9-dimethoxy-3,4-dihydro-1H-benzo[h]isoquinoline hydrochloride
SYSTEMATIC NAME: 8,9-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-benzo[h]isoquinoline hydrochloride
MOLECULAR FORMULA: C22H24ClNO2
MOLECULAR WEIGHT: 369.88446
SMILES: COC1=C(C=C2C3=C(CCN(C3)CC4=CC=CC=C4)C=CC2=C1)OC.Cl
Structure:

CAS RN: 39640-72-7
CAS Name: 3-cyclohexyl-4-phenyl-5-oxadiazol-3-iumolate
OPENEYE Name: 3-cyclohexyl-4-phenyl-oxadiazol-3-ium-5-olate
IUPAC Name: 3-cyclohexyl-4-phenyloxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-cyclohexyl-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: C1CCC(CC1)[N+]2=NOC(=C2C3=CC=CC=C3)[O-]
Structure:

CAS RN: 17501-48-3
CAS Name: carbonic acid; zirconium; hydrate
OPENEYE Name: carbonic acid; zirconium; hydrate
IUPAC Name: carbonic acid; zirconium; hydrate
SYSTEMATIC NAME: carbonic acid; zirconium; hydrate
MOLECULAR FORMULA: C3H8O10Zr
MOLECULAR WEIGHT: 295.31362
SMILES: C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.O.[Zr]
Structure:

CAS RN: 6152-67-6
CAS Name: 4-anilinobenzenesulfonic acid; sodium
OPENEYE Name: 4-anilinobenzenesulfonic acid; sodium
IUPAC Name: 4-anilinobenzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-phenylazanylbenzenesulfonic acid; sodium
MOLECULAR FORMULA: C12H11NNaO3S
MOLECULAR WEIGHT: 272.27541
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)O.[Na]
Structure:

CAS RN: 39575-15-0
CAS Name: [4-[(benzoylhydrazinylidene)methyl]phenyl]-trimethylammonium iodide
OPENEYE Name: [4-[(benzoylhydrazono)methyl]phenyl]-trimethyl-ammonium iodide
IUPAC Name: [4-[(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-[4-[(phenylcarbonylhydrazinylidene)methyl]phenyl]azanium iodide
MOLECULAR FORMULA: C17H20IN3O
MOLECULAR WEIGHT: 409.26467
SMILES: C[N+](C)(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2.[I-]
Structure:

CAS RN: 15658-72-7
CAS Name: 2,2-dicyanoethene-1,1-dithiolate; iron(3+); tetrapropylammonium
OPENEYE Name: ferric; 2,2-dicyanoethene-1,1-dithiolate; tetrapropylammonium
IUPAC Name: 2,2-dicyanoethene-1,1-dithiolate; iron(3+); tetrapropylazanium
SYSTEMATIC NAME: 2,2-dicyanoethene-1,1-dithiolate; iron(3+); tetrapropylazanium
MOLECULAR FORMULA: C24H28FeN7S6-2
MOLECULAR WEIGHT: 662.76102
SMILES: CCC[N+](CCC)(CCC)CCC.C(#N)C(=C([S-])[S-])C#N.C(#N)C(=C([S-])[S-])C#N.C(#N)C(=C([S-])[S-])C#N.[Fe+3]
Structure:

CAS RN: 14636-82-9
CAS Name: copper; cyanoiminomethanedithiolate
OPENEYE Name: copper; cyanoiminomethanedithiolate
IUPAC Name: copper; cyanoiminomethanedithiolate
SYSTEMATIC NAME: copper; cyanoiminomethanedithiolate
MOLECULAR FORMULA: C4CuN4S4-4
MOLECULAR WEIGHT: 295.8756
SMILES: C(#N)N=C([S-])[S-].C(#N)N=C([S-])[S-].[Cu]
Structure:

CAS RN: 27970-17-8
CAS Name: acetic acid 2,4-dioxopentan-3-yl ester; copper
OPENEYE Name: (1-acetyl-2-oxo-propyl) acetate; copper
IUPAC Name: copper; 2,4-dioxopentan-3-yl acetate
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)pentan-3-yl ethanoate; copper
MOLECULAR FORMULA: C14H20CuO8
MOLECULAR WEIGHT: 379.8498
SMILES: CC(=O)C(C(=O)C)OC(=O)C.CC(=O)C(C(=O)C)OC(=O)C.[Cu]
Structure:

CAS RN: 94071-50-8
CAS Name: copper; 1-fluoropentane-2,4-dione
OPENEYE Name: copper; 1-fluoropentane-2,4-dione
IUPAC Name: copper; 1-fluoropentane-2,4-dione
SYSTEMATIC NAME: copper; 1-fluoranylpentane-2,4-dione
MOLECULAR FORMULA: C10H14CuF2O4
MOLECULAR WEIGHT: 299.758566
SMILES: CC(=O)CC(=O)CF.CC(=O)CC(=O)CF.[Cu]
Structure:

CAS RN: 23311-39-9
CAS Name: carbonic acid; cobalt
OPENEYE Name: carbonic acid; cobalt
IUPAC Name: carbonic acid; cobalt
SYSTEMATIC NAME: carbonic acid; cobalt
MOLECULAR FORMULA: C3H6CoO9
MOLECULAR WEIGHT: 245.00754
SMILES: C(=O)(O)O.C(=O)(O)O.C(=O)(O)O.[Co]
Structure:

CAS RN: 29950-55-8
CAS Name: cobalt(2+); tetramethylammonium; tetracyanate
OPENEYE Name: cobaltous tetramethylammonium tetracyanate
IUPAC Name: cobalt(2+); tetramethylazanium; tetracyanate
SYSTEMATIC NAME: cobalt(2+); tetramethylazanium; tetracyanate
MOLECULAR FORMULA: C8H12CoN5O4-
MOLECULAR WEIGHT: 301.14518
SMILES: C[N+](C)(C)C.C(#N)[O-].C(#N)[O-].C(#N)[O-].C(#N)[O-].[Co+2]
Structure:

CAS RN: 36501-48-1
CAS Name: cobalt; 1-phenylbutane-1,3-dione
OPENEYE Name: cobalt; 1-phenylbutane-1,3-dione
IUPAC Name: cobalt; 1-phenylbutane-1,3-dione
SYSTEMATIC NAME: cobalt; 1-phenylbutane-1,3-dione
MOLECULAR FORMULA: C30H30CoO6
MOLECULAR WEIGHT: 545.4888
SMILES: CC(=O)CC(=O)C1=CC=CC=C1.CC(=O)CC(=O)C1=CC=CC=C1.CC(=O)CC(=O)C1=CC=CC=C1.[Co]
Structure:

CAS RN: 13600-88-9
CAS Name: azanide; cobalt(3+); trinitrite
OPENEYE Name: cobaltic azanide trinitrite
IUPAC Name: azanide; cobalt(3+); trinitrite
SYSTEMATIC NAME: azanide; cobalt(3+); trinitrite
MOLECULAR FORMULA: CoH6N6O6-3
MOLECULAR WEIGHT: 245.01744
SMILES: [NH2-].[NH2-].[NH2-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Co+3]
Structure:

CAS RN: 33519-88-9
CAS Name: cobalt; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphonium
OPENEYE Name: cobalt; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphonium
IUPAC Name: cobalt; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphanium
SYSTEMATIC NAME: cobalt; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphanium
MOLECULAR FORMULA: C32H20CoN4PS4-3
MOLECULAR WEIGHT: 678.694961
SMILES: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].[Co]
Structure:

CAS RN: 34401-61-1
CAS Name: chromium; 2-hydroxy-1-cyclohepta-2,4,6-trienone
OPENEYE Name: chromium; 2-hydroxycyclohepta-2,4,6-trien-1-one
IUPAC Name: chromium; 2-hydroxycyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: chromium; 2-oxidanylcyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C21H18CrO6
MOLECULAR WEIGHT: 418.36012
SMILES: C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.[Cr]
Structure:

CAS RN: 15658-73-8
CAS Name: chromium(3+); 2,2-dicyanoethene-1,1-dithiolate; tetrapropylammonium
OPENEYE Name: chromic; 2,2-dicyanoethene-1,1-dithiolate; tetrapropylammonium
IUPAC Name: chromium(3+); 2,2-dicyanoethene-1,1-dithiolate; tetrapropylazanium
SYSTEMATIC NAME: chromium(3+); 2,2-dicyanoethene-1,1-dithiolate; tetrapropylazanium
MOLECULAR FORMULA: C24H28CrN7S6-2
MOLECULAR WEIGHT: 658.91212
SMILES: CCC[N+](CCC)(CCC)CCC.C(#N)C(=C([S-])[S-])C#N.C(#N)C(=C([S-])[S-])C#N.C(#N)C(=C([S-])[S-])C#N.[Cr+3]
Structure:

CAS RN: 55025-69-9
CAS Name: manganese; pentane-2,4-dione; dihydrate
OPENEYE Name: manganese; pentane-2,4-dione; dihydrate
IUPAC Name: manganese; pentane-2,4-dione; dihydrate
SYSTEMATIC NAME: manganese; pentane-2,4-dione; dihydrate
MOLECULAR FORMULA: C10H20MnO6
MOLECULAR WEIGHT: 291.200249
SMILES: CC(=O)CC(=O)C.CC(=O)CC(=O)C.O.O.[Mn]
Structure:

CAS RN: 41749-92-2
CAS Name: nickel; 2,2,6,6-tetramethylheptane-3,5-dione
OPENEYE Name: nickel; 2,2,6,6-tetramethylheptane-3,5-dione
IUPAC Name: nickel; 2,2,6,6-tetramethylheptane-3,5-dione
SYSTEMATIC NAME: nickel; 2,2,6,6-tetramethylheptane-3,5-dione
MOLECULAR FORMULA: C22H40NiO4
MOLECULAR WEIGHT: 427.244
SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ni]
Structure:

CAS RN: 15213-69-1
CAS Name: 2,2-dicyanoethene-1,1-dithiolate; nickel(2+); tetrapropylammonium
OPENEYE Name: nickelous; 2,2-dicyanoethene-1,1-dithiolate; tetrapropylammonium
IUPAC Name: 2,2-dicyanoethene-1,1-dithiolate; nickel(2+); tetrapropylazanium
SYSTEMATIC NAME: 2,2-dicyanoethene-1,1-dithiolate; nickel(2+); tetrapropylazanium
MOLECULAR FORMULA: C20H28N5NiS4-
MOLECULAR WEIGHT: 525.42322
SMILES: CCC[N+](CCC)(CCC)CCC.C(#N)C(=C([S-])[S-])C#N.C(#N)C(=C([S-])[S-])C#N.[Ni+2]
Structure:

CAS RN: 15744-45-3
CAS Name: copper; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraethylammonium
OPENEYE Name: copper; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraethylammonium
IUPAC Name: copper; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraethylazanium
SYSTEMATIC NAME: copper; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraethylazanium
MOLECULAR FORMULA: C16H20CuN5S4-
MOLECULAR WEIGHT: 474.1695
SMILES: CC[N+](CC)(CC)CC.C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].[Cu+2]
Structure:

CAS RN: 20303-57-5
CAS Name: copper; 1,1,1,5,5,5-hexafluoropentane-2,4-dione; pyridine
OPENEYE Name: copper; 1,1,1,5,5,5-hexafluoropentane-2,4-dione; pyridine
IUPAC Name: copper; 1,1,1,5,5,5-hexafluoropentane-2,4-dione; pyridine
SYSTEMATIC NAME: copper; 1,1,1,5,5,5-hexakis(fluoranyl)pentane-2,4-dione; pyridine
MOLECULAR FORMULA: C15H9CuF12NO4
MOLECULAR WEIGHT: 558.763098
SMILES: C1=CC=NC=C1.C(C(=O)C(F)(F)F)C(=O)C(F)(F)F.C(C(=O)C(F)(F)F)C(=O)C(F)(F)F.[Cu]
Structure:

CAS RN: 54005-29-7
CAS Name: dibromopalladium; methyl(diphenyl)phosphine
OPENEYE Name: dibromopalladium; methyl(diphenyl)phosphane
IUPAC Name: dibromopalladium; methyl(diphenyl)phosphane
SYSTEMATIC NAME: bis(bromanyl)palladium; methyl(diphenyl)phosphane
MOLECULAR FORMULA: C26H26Br2P2Pd
MOLECULAR WEIGHT: 666.660162
SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.Br[Pd]Br
Structure:

CAS RN: 14852-92-7
CAS Name: cyclohexylazanide; nickel(2+); pentane-2,4-dione
OPENEYE Name: nickelous; cyclohexylazanide; pentane-2,4-dione
IUPAC Name: cyclohexylazanide; nickel(2+); pentane-2,4-dione
SYSTEMATIC NAME: cyclohexylazanide; nickel(2+); pentane-2,4-dione
MOLECULAR FORMULA: C22H40N2NiO4
MOLECULAR WEIGHT: 455.2574
SMILES: CC(=O)CC(=O)C.CC(=O)CC(=O)C.C1CCC(CC1)[NH-].C1CCC(CC1)[NH-].[Ni+2]
Structure:

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