Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 33943-47-4
CAS Name: dilithium diphosphate
OPENEYE Name: dilithium diphosphate
IUPAC Name: dilithium diphosphate
SYSTEMATIC NAME: dilithium diphosphate
MOLECULAR FORMULA: Li2O8P2-4
MOLECULAR WEIGHT: 203.824722
SMILES: [Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
Structure:

CAS RN: 32555-34-3
CAS Name: N,N-dimethyl-1,1-diphenoxyethanamine
OPENEYE Name: N,N-dimethyl-1,1-diphenoxy-ethanamine
IUPAC Name: N,N-dimethyl-1,1-diphenoxyethanamine
SYSTEMATIC NAME: N,N-dimethyl-1,1-diphenoxy-ethanamine
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: CC(N(C)C)(OC1=CC=CC=C1)OC2=CC=CC=C2
Structure:

CAS RN: 32151-96-5
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole iodide
MOLECULAR FORMULA: C23H23IN2O
MOLECULAR WEIGHT: 470.34599
SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CC.[I-]
Structure:

CAS RN: 31977-95-4
CAS Name: octadecanoic acid [2-amino-2-(hydroxymethyl)butyl] ester
OPENEYE Name: [2-amino-2-(hydroxymethyl)butyl] octadecanoate
IUPAC Name: [2-amino-2-(hydroxymethyl)butyl] octadecanoate
SYSTEMATIC NAME: [2-azanyl-2-(hydroxymethyl)butyl] octadecanoate
MOLECULAR FORMULA: C23H47NO3
MOLECULAR WEIGHT: 385.62418
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)N
Structure:

CAS RN: 31679-92-2
CAS Name: 2-amino-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-amino-5-methyl-1,4-benzoquinone
IUPAC Name: 2-amino-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=CC(=O)C(=CC1=O)N
Structure:

CAS RN: 31651-04-4
CAS Name: 2,8-diamino-1,5-dihydroxyanthracene-9,10-dione
OPENEYE Name: 2,8-diamino-1,5-dihydroxy-anthracene-9,10-dione
IUPAC Name: 2,8-diamino-1,5-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 2,8-bis(azanyl)-1,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)N)O)O)N
Structure:

CAS RN: 31375-20-9
CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]methanethioamide
OPENEYE Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]thioformamide
IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]methanethioamide
SYSTEMATIC NAME: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]methanethioamide
MOLECULAR FORMULA: C7H10N4S
MOLECULAR WEIGHT: 182.2461
SMILES: CC1=NC=C(C(=N1)N)CNC=S
Structure:

CAS RN: 31249-11-3
CAS Name: 2,2-dimethyl-3-(2-methyl-1-oxoprop-2-enoxy)propanoic acid [2,2-dimethyl-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
OPENEYE Name: [2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propanoate
IUPAC Name: [2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propanoate
SYSTEMATIC NAME: [2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propanoate
MOLECULAR FORMULA: C18H28O6
MOLECULAR WEIGHT: 340.41132
SMILES: CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(=C)C
Structure:

CAS RN: 30989-07-2
CAS Name: tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
OPENEYE Name: tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
IUPAC Name: tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
SYSTEMATIC NAME: tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
MOLECULAR FORMULA: C24H51BO12
MOLECULAR WEIGHT: 542.46554
SMILES: B(OCCOCCOCCOCC)(OCCOCCOCCOCC)OCCOCCOCCOCC
Structure:

CAS RN: 30901-67-8
CAS Name: 1-(1-phenyltridecyl)pyridin-1-ium chloride
OPENEYE Name: 1-(1-phenyltridecyl)pyridin-1-ium chloride
IUPAC Name: 1-(1-phenyltridecyl)pyridin-1-ium chloride
SYSTEMATIC NAME: 1-(1-phenyltridecyl)pyridin-1-ium chloride
MOLECULAR FORMULA: C24H36ClN
MOLECULAR WEIGHT: 374.00234
SMILES: CCCCCCCCCCCCC(C1=CC=CC=C1)[N+]2=CC=CC=C2.[Cl-]
Structure:

CAS RN: 29574-42-3
CAS Name: 5-cyclopropyl-1,3-benzodioxole
OPENEYE Name: 5-cyclopropyl-1,3-benzodioxole
IUPAC Name: 5-cyclopropyl-1,3-benzodioxole
SYSTEMATIC NAME: 5-cyclopropyl-1,3-benzodioxole
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1CC1C2=CC3=C(C=C2)OCO3
Structure:

CAS RN: 29389-51-3
CAS Name: 2-[(2-ethoxy-2-oxoethyl)amino]-4-(ethylthio)-5-methoxybenzenediazonium; hydrogen sulfate
OPENEYE Name: 2-[(2-ethoxy-2-oxo-ethyl)amino]-4-ethylsulfanyl-5-methoxy-benzenediazonium; hydrogen sulfate
IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)amino]-4-ethylsulfanyl-5-methoxybenzenediazonium; hydrogen sulfate
SYSTEMATIC NAME: 2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-ethylsulfanyl-5-methoxy-benzenediazonium; hydrogen sulfate
MOLECULAR FORMULA: C13H19N3O7S2
MOLECULAR WEIGHT: 393.43586
SMILES: CCOC(=O)CNC1=CC(=C(C=C1[N+]#N)OC)SCC.OS(=O)(=O)[O-]
Structure:

CAS RN: 27969-85-3
CAS Name: 5-amino-6-hydroxy-1H-pyridin-2-one hydrochloride
OPENEYE Name: 5-amino-6-hydroxy-1H-pyridin-2-one hydrochloride
IUPAC Name: 5-amino-6-hydroxy-1H-pyridin-2-one hydrochloride
SYSTEMATIC NAME: 5-azanyl-6-oxidanyl-1H-pyridin-2-one hydrochloride
MOLECULAR FORMULA: C5H7ClN2O2
MOLECULAR WEIGHT: 162.57428
SMILES: C1=CC(=O)NC(=C1N)O.Cl
Structure:

CAS RN: 27564-03-0
CAS Name: 2-nitro-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline chloride
OPENEYE Name: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline chloride
IUPAC Name: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride
SYSTEMATIC NAME: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride
MOLECULAR FORMULA: C18H19ClN4O2
MOLECULAR WEIGHT: 358.82206
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NC3=CC=CC=C3[N+](=O)[O-])C)C.[Cl-]
Structure:

CAS RN: 27413-92-9
CAS Name: 2,5-dimethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrafluoroborate
OPENEYE Name: 2,5-dimethoxy-4-(p-tolylsulfanyl)benzenediazonium tetrafluoroborate
IUPAC Name: 2,5-dimethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrafluoroborate
SYSTEMATIC NAME: 2,5-dimethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium tetrafluoroborate
MOLECULAR FORMULA: C15H15BF4N2O2S
MOLECULAR WEIGHT: 374.161413
SMILES: [B-](F)(F)(F)F.CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+]#N)OC
Structure:

CAS RN: 27279-86-3
CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid
OPENEYE Name: 2-oxochromene-6-sulfonic acid
IUPAC Name: 2-oxochromene-6-sulfonic acid
SYSTEMATIC NAME: 2-oxidanylidenechromene-6-sulfonic acid
MOLECULAR FORMULA: C9H6O5S
MOLECULAR WEIGHT: 226.20594
SMILES: C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)O
Structure:

CAS RN: 27220-61-7
CAS Name: butanoic acid [8-ethyl-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
OPENEYE Name: [8-ethyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] butanoate
IUPAC Name: [8-ethyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] butanoate
SYSTEMATIC NAME: [8-ethyl-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] butanoate
MOLECULAR FORMULA: C23H30N2O9
MOLECULAR WEIGHT: 478.4923
SMILES: CCCC(=O)OC1C(OC(=O)C(C(OC(=O)C1CC)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C
Structure:

CAS RN: 27220-60-6
CAS Name: 3-methylbutanoic acid [8-ethyl-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester
OPENEYE Name: [8-ethyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
IUPAC Name: [8-ethyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
SYSTEMATIC NAME: [8-ethyl-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
MOLECULAR FORMULA: C24H32N2O9
MOLECULAR WEIGHT: 492.51888
SMILES: CCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
Structure:

CAS RN: 27180-93-4
CAS Name: 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-1-ium bromide
OPENEYE Name: 3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide
IUPAC Name: 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-1-ium bromide
SYSTEMATIC NAME: 3-ethyl-3-(3-methoxyphenyl)-1-methyl-azepan-1-ium bromide
MOLECULAR FORMULA: C16H26BrNO
MOLECULAR WEIGHT: 328.28774
SMILES: CCC1(CCCC[NH+](C1)C)C2=CC(=CC=C2)OC.[Br-]
Structure:

CAS RN: 26931-39-5
CAS Name: 1,4-bis[4-(4-chlorophenoxy)anilino]anthracene-9,10-dione
OPENEYE Name: 1,4-bis[4-(4-chlorophenoxy)anilino]anthracene-9,10-dione
IUPAC Name: 1,4-bis[4-(4-chlorophenoxy)anilino]anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis[[4-(4-chloranylphenoxy)phenyl]amino]anthracene-9,10-dione
MOLECULAR FORMULA: C38H24Cl2N2O4
MOLECULAR WEIGHT: 643.51416
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)OC7=CC=C(C=C7)Cl
Structure:

CAS RN: 26839-77-0
CAS Name: (Z)-2-butenedioate; 1-(tert-butylamino)-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol
OPENEYE Name: (Z)-but-2-enedioate; 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
IUPAC Name: (Z)-but-2-enedioate; 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SYSTEMATIC NAME: (Z)-but-2-enedioate; 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
MOLECULAR FORMULA: C17H26N4O7S-2
MOLECULAR WEIGHT: 430.47594
SMILES: CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:

CAS RN: 26752-60-3
CAS Name: 5,5-dichloro-6-methoxy-3-propan-2-yl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
OPENEYE Name: 5,5-dichloro-3-isopropyl-6-methoxy-6-(trifluoromethyl)hexahydropyrimidine-2,4-dione
IUPAC Name: 5,5-dichloro-6-methoxy-3-propan-2-yl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5,5-bis(chloranyl)-6-methoxy-3-propan-2-yl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C9H11Cl2F3N2O3
MOLECULAR WEIGHT: 323.09645
SMILES: CC(C)N1C(=O)C(C(NC1=O)(C(F)(F)F)OC)(Cl)Cl
Structure:

CAS RN: 26488-60-8
CAS Name: N-(6-isocyanatohexyl)carbamic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl N-(6-isocyanatohexyl)carbamate
IUPAC Name: 2-ethylhexyl N-(6-isocyanatohexyl)carbamate
SYSTEMATIC NAME: 2-ethylhexyl N-(6-isocyanatohexyl)carbamate
MOLECULAR FORMULA: C16H30N2O3
MOLECULAR WEIGHT: 298.421
SMILES: CCCCC(CC)COC(=O)NCCCCCCN=C=O
Structure:

CAS RN: 26411-40-5
CAS Name: N-methyl-N-(1-pyridin-1-iumylmethyl)octadecanamide chloride
OPENEYE Name: N-methyl-N-(pyridin-1-ium-1-ylmethyl)octadecanamide chloride
IUPAC Name: N-methyl-N-(pyridin-1-ium-1-ylmethyl)octadecanamide chloride
SYSTEMATIC NAME: N-methyl-N-(pyridin-1-ium-1-ylmethyl)octadecanamide chloride
MOLECULAR FORMULA: C25H45ClN2O
MOLECULAR WEIGHT: 425.0906
SMILES: CCCCCCCCCCCCCCCCCC(=O)N(C)C[N+]1=CC=CC=C1.[Cl-]
Structure:

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