Wednesday, June 27, 2012

http://ChemLookup.com Compounds




CAS RN: 3970-13-6
CAS Name: (chloromethylthio)methylbenzene
OPENEYE Name: chloromethylsulfanylmethylbenzene
IUPAC Name: chloromethylsulfanylmethylbenzene
SYSTEMATIC NAME: chloromethylsulfanylmethylbenzene
MOLECULAR FORMULA: C8H9ClS
MOLECULAR WEIGHT: 172.67506
SMILES: C1=CC=C(C=C1)CSCCl
Structure:

CAS RN: 15052-13-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CC12C(O1)C(=O)C3C4CC(C3C2=O)C=C4
Structure:

CAS RN: 2435-32-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: C1C2C=CC1C3C2C(=O)C4C(C3=O)O4
Structure:

CAS RN: 55164-60-8
CAS Name: (1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
OPENEYE Name: (1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
IUPAC Name: (1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
SYSTEMATIC NAME: (1R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: C1=CC(=O)[C@H]2[C@@]([C@H]1O)(O2)CO
Structure:

CAS RN: 32189-79-0
CAS Name: 6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
OPENEYE Name: 6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
IUPAC Name: 6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
SYSTEMATIC NAME: 6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: C1=CC(=O)C2(C(C1=O)O2)CO
Structure:

CAS RN: 55164-59-5
CAS Name: 6-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
OPENEYE Name: 6-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
IUPAC Name: 6-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
SYSTEMATIC NAME: 6-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: CC12C(O1)C(=O)C=CC2=O
Structure:

CAS RN: 72056-00-9
CAS Name: 1-[4-(dimethylamino)phenyl]-1-nonen-3-one oxime
OPENEYE Name: 1-[4-(dimethylamino)phenyl]non-1-en-3-one oxime
IUPAC Name: N-[1-[4-(dimethylamino)phenyl]non-1-en-3-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[1-[4-(dimethylamino)phenyl]non-1-en-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C17H26N2O
MOLECULAR WEIGHT: 274.40114
SMILES: CCCCCCC(=NO)C=CC1=CC=C(C=C1)N(C)C
Structure:

CAS RN: 59523-07-8
CAS Name: 5-trimethylsilyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-trimethylsilyl-1H-pyrimidine-2,4-dione
IUPAC Name: 5-trimethylsilyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-trimethylsilyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H12N2O2Si
MOLECULAR WEIGHT: 184.26788
SMILES: C[Si](C)(C)C1=CNC(=O)NC1=O
Structure:

CAS RN: 59523-08-9
CAS Name: 2-amino-5-trimethylsilyl-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-5-trimethylsilyl-1H-pyrimidin-6-one
IUPAC Name: 2-amino-5-trimethylsilyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-trimethylsilyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C7H13N3OSi
MOLECULAR WEIGHT: 183.28312
SMILES: C[Si](C)(C)C1=CN=C(NC1=O)N
Structure:

CAS RN: 76609-59-1
CAS Name: N-[(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]benzenesulfonamide
OPENEYE Name: N-[(3-methyl-4-phenyl-2-pyridyl)methyleneamino]benzenesulfonamide
IUPAC Name: N-[(3-methyl-4-phenylpyridin-2-yl)methylideneamino]benzenesulfonamide
SYSTEMATIC NAME: N-[(3-methyl-4-phenyl-pyridin-2-yl)methylideneamino]benzenesulfonamide
MOLECULAR FORMULA: C19H17N3O2S
MOLECULAR WEIGHT: 351.42218
SMILES: CC1=C(C=CN=C1C=NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 65561-76-4
CAS Name: 1-hydroxy-2,2,6,6-tetramethyl-4-[(4-nitro-2-propan-2-yl-1-imidazolyl)-phenoxyphosphoryl]oxypiperidine
OPENEYE Name: 1-hydroxy-4-[(2-isopropyl-4-nitro-imidazol-1-yl)-phenoxy-phosphoryl]oxy-2,2,6,6-tetramethyl-piperidine
IUPAC Name: 1-hydroxy-2,2,6,6-tetramethyl-4-[(4-nitro-2-propan-2-ylimidazol-1-yl)-phenoxyphosphoryl]oxypiperidine
SYSTEMATIC NAME: 2,2,6,6-tetramethyl-4-[(4-nitro-2-propan-2-yl-imidazol-1-yl)-phenoxy-phosphoryl]oxy-1-oxidanyl-piperidine
MOLECULAR FORMULA: C21H31N4O6P
MOLECULAR WEIGHT: 466.467801
SMILES: CC(C)C1=NC(=CN1P(=O)(OC2CC(N(C(C2)(C)C)O)(C)C)OC3=CC=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 65561-75-3
CAS Name: 4-[(2-ethyl-4-nitro-1-imidazolyl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
OPENEYE Name: 4-[(2-ethyl-4-nitro-imidazol-1-yl)-phenoxy-phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethyl-piperidine
IUPAC Name: 4-[(2-ethyl-4-nitroimidazol-1-yl)-phenoxyphosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
SYSTEMATIC NAME: 4-[(2-ethyl-4-nitro-imidazol-1-yl)-phenoxy-phosphoryl]oxy-2,2,6,6-tetramethyl-1-oxidanyl-piperidine
MOLECULAR FORMULA: C20H29N4O6P
MOLECULAR WEIGHT: 452.441221
SMILES: CCC1=NC(=CN1P(=O)(OC2CC(N(C(C2)(C)C)O)(C)C)OC3=CC=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 61384-35-8
CAS Name: N-[1-aziridinyl-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)oxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
OPENEYE Name: N-[aziridin-1-yl-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)oxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name: N-[aziridin-1-yl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: N-[aziridin-1-yl-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-phosphoryl]-2-chloranyl-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C15H30Cl2N3O3P
MOLECULAR WEIGHT: 402.296761
SMILES: CC1(CC(CC(N1O)(C)C)OP(=O)(N2CC2)N(CCCl)CCCl)C
Structure:

CAS RN: 61384-34-7
CAS Name: 1-aziridinyl-bis[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)oxy]-sulfanylidenephosphorane
OPENEYE Name: aziridin-1-yl-bis[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)oxy]-thioxo-$l^{5}-phosphane
IUPAC Name: aziridin-1-yl-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: aziridin-1-yl-sulfanylidene-bis[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy]-$l^{5}-phosphane
MOLECULAR FORMULA: C20H40N3O4PS
MOLECULAR WEIGHT: 449.588061
SMILES: CC1(CC(CC(N1O)(C)C)OP(=S)(N2CC2)OC3CC(N(C(C3)(C)C)O)(C)C)C
Structure:

CAS RN: 66262-74-6
CAS Name: 1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one
OPENEYE Name: 1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one
IUPAC Name: 1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one
SYSTEMATIC NAME: 1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=CN=C4
Structure:

CAS RN: 66262-77-9
CAS Name: 7-oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
OPENEYE Name: 7-oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
IUPAC Name: 7-oxido-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
SYSTEMATIC NAME: 7-oxidanidyl-1,2,3,10-tetrahydrocyclopenta[c][1,8]phenanthrolin-7-ium-11-one
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=C[N+](=C4)[O-]
Structure:

CAS RN: 22715-57-7
CAS Name: 1,1-dibromo-2,2,3,3-tetramethylcyclopropane
OPENEYE Name: 1,1-dibromo-2,2,3,3-tetramethyl-cyclopropane
IUPAC Name: 1,1-dibromo-2,2,3,3-tetramethylcyclopropane
SYSTEMATIC NAME: 1,1-bis(bromanyl)-2,2,3,3-tetramethyl-cyclopropane
MOLECULAR FORMULA: C7H12Br2
MOLECULAR WEIGHT: 255.97818
SMILES: CC1(C(C1(Br)Br)(C)C)C
Structure:

CAS RN: 16801-14-2
CAS Name: 2,3-diphenyloxirane-2,3-dicarbonitrile
OPENEYE Name: 2,3-diphenyloxirane-2,3-dicarbonitrile
IUPAC Name: 2,3-diphenyloxirane-2,3-dicarbonitrile
SYSTEMATIC NAME: 2,3-diphenyloxirane-2,3-dicarbonitrile
MOLECULAR FORMULA: C16H10N2O
MOLECULAR WEIGHT: 246.2634
SMILES: C1=CC=C(C=C1)C2(C(O2)(C#N)C3=CC=CC=C3)C#N
Structure:

CAS RN: 329-78-2
CAS Name: 1-(4-chlorophenyl)-2-fluoroethanone
OPENEYE Name: 1-(4-chlorophenyl)-2-fluoro-ethanone
IUPAC Name: 1-(4-chlorophenyl)-2-fluoroethanone
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-fluoranyl-ethanone
MOLECULAR FORMULA: C8H6ClFO
MOLECULAR WEIGHT: 172.584043
SMILES: C1=CC(=CC=C1C(=O)CF)Cl
Structure:

CAS RN: 1195-43-3
CAS Name: dichloromethoxybenzene
OPENEYE Name: dichloromethoxybenzene
IUPAC Name: dichloromethoxybenzene
SYSTEMATIC NAME: bis(chloranyl)methoxybenzene
MOLECULAR FORMULA: C7H6Cl2O
MOLECULAR WEIGHT: 177.02794
SMILES: C1=CC=C(C=C1)OC(Cl)Cl
Structure:

CAS RN: 67810-22-4
CAS Name: benzene-1,4-dicarboxylic acid bis(3-hexadecylsulfinyl-2-hydroxypropyl) ester
OPENEYE Name: bis(3-hexadecylsulfinyl-2-hydroxy-propyl) benzene-1,4-dicarboxylate
IUPAC Name: bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis(3-hexadecylsulfinyl-2-oxidanyl-propyl) benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C46H82O8S2
MOLECULAR WEIGHT: 827.26848
SMILES: CCCCCCCCCCCCCCCCS(=O)CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CS(=O)CCCCCCCCCCCCCCCC)O)O
Structure:

CAS RN: 55274-89-0
CAS Name: 2-[(tert-butylamino)methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(tert-butylamino)methylene]propanedioate
IUPAC Name: diethyl 2-[(tert-butylamino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(tert-butylamino)methylidene]propanedioate
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CCOC(=O)C(=CNC(C)(C)C)C(=O)OCC
Structure:

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