Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 1131604-78-8
CAS Name: N-(phenylmethyl)-2-(3-phenylphenyl)acetamide
OPENEYE Name: N-benzyl-2-(3-phenylphenyl)acetamide
IUPAC Name: N-benzyl-2-(3-phenylphenyl)acetamide
SYSTEMATIC NAME: N-(phenylmethyl)-2-(3-phenylphenyl)ethanamide
MOLECULAR FORMULA: C21H19NO
MOLECULAR WEIGHT: 301.38166
SMILES: C1=CC=C(C=C1)CNC(=O)CC2=CC=CC(=C2)C3=CC=CC=C3

CAS RN: 1131604-77-7
CAS Name: 3,5-dichloro-1,2,4-triazine-6-carbonitrile
OPENEYE Name: 3,5-dichloro-1,2,4-triazine-6-carbonitrile
IUPAC Name: 3,5-dichloro-1,2,4-triazine-6-carbonitrile
SYSTEMATIC NAME: 3,5-bis(chloranyl)-1,2,4-triazine-6-carbonitrile
MOLECULAR FORMULA: C4Cl2N4
MOLECULAR WEIGHT: 174.9756
SMILES: C(#N)C1=C(N=C(N=N1)Cl)Cl

CAS RN: 1131604-76-6
CAS Name: 3-bromo-5,6-dichloro-2-pyrazinecarbonitrile
OPENEYE Name: 3-bromo-5,6-dichloro-pyrazine-2-carbonitrile
IUPAC Name: 3-bromo-5,6-dichloropyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-bromanyl-5,6-bis(chloranyl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C5BrCl2N3
MOLECULAR WEIGHT: 252.8836
SMILES: C(#N)C1=C(N=C(C(=N1)Cl)Cl)Br

CAS RN: 625437-42-5
CAS Name: N-[(2,3-dichlorophenyl)methyl]cyclopropanamine hydrochloride
OPENEYE Name: N-[(2,3-dichlorophenyl)methyl]cyclopropanamine hydrochloride
IUPAC Name: N-[(2,3-dichlorophenyl)methyl]cyclopropanamine hydrochloride
SYSTEMATIC NAME: N-[[2,3-bis(chloranyl)phenyl]methyl]cyclopropanamine hydrochloride
MOLECULAR FORMULA: C10H12Cl3N
MOLECULAR WEIGHT: 252.56798
SMILES: C1CC1NCC2=C(C(=CC=C2)Cl)Cl.Cl

CAS RN: 1041439-18-2
CAS Name: N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide
OPENEYE Name: N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide
IUPAC Name: N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]acetamide
SYSTEMATIC NAME: N-[[2,3-bis(chloranyl)phenyl]methyl]-N-cyclopropyl-ethanamide
MOLECULAR FORMULA: C12H13Cl2NO
MOLECULAR WEIGHT: 258.14372
SMILES: CC(=O)N(CC1=C(C(=CC=C1)Cl)Cl)C2CC2

CAS RN: 65990-86-5
CAS Name: 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine hydrochloride
OPENEYE Name: 1-(4-chlorophenyl)-2,2,2-trifluoro-ethanamine hydrochloride
IUPAC Name: 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine hydrochloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2,2,2-tris(fluoranyl)ethanamine hydrochloride
MOLECULAR FORMULA: C8H8Cl2F3N
MOLECULAR WEIGHT: 246.05703
SMILES: C1=CC(=CC=C1C(C(F)(F)F)N)Cl.Cl

CAS RN: 1097779-00-4
CAS Name: 2-(6-chloro-4-pyrimidinyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(6-chloropyrimidin-4-yl)acetate
IUPAC Name: methyl 2-(6-chloropyrimidin-4-yl)acetate
SYSTEMATIC NAME: methyl 2-(6-chloranylpyrimidin-4-yl)ethanoate
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: COC(=O)CC1=CC(=NC=N1)Cl

CAS RN: 849359-56-4
CAS Name: 3,5-diiodo-4-methoxypyridine
OPENEYE Name: 3,5-diiodo-4-methoxy-pyridine
IUPAC Name: 3,5-diiodo-4-methoxypyridine
SYSTEMATIC NAME: 3,5-bis(iodanyl)-4-methoxy-pyridine
MOLECULAR FORMULA: C6H5I2NO
MOLECULAR WEIGHT: 360.91894
SMILES: COC1=C(C=NC=C1I)I

CAS RN: 475469-14-8
CAS Name: 2-amino-3-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-amino-1-benzyl-3-(hydroxymethyl)pyrrolidine-3-carboxylate
IUPAC Name: tert-butyl 2-amino-1-benzyl-3-(hydroxymethyl)pyrrolidine-3-carboxylate
SYSTEMATIC NAME: tert-butyl 2-azanyl-3-(hydroxymethyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CC(C)(C)OC(=O)C1(CCN(C1N)CC2=CC=CC=C2)CO

CAS RN: 11079-53-1
CAS Name: (1S,6R,7S)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione
OPENEYE Name: (1S,6R,7S)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
IUPAC Name: (1S,6R,7S)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
SYSTEMATIC NAME: (1S,6R,7S)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-2-oxidanyl-bicyclo[3.3.1]non-2-ene-4,9-dione
MOLECULAR FORMULA: C35H52O4
MOLECULAR WEIGHT: 536.78498
SMILES: CC(C)C(=O)C12C(=O)C(=C([C@@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

CAS RN: 79145-98-5
CAS Name: 2-imino-5-[(4-nitrophenyl)hydrazo]-3-pyridinone
OPENEYE Name: 2-imino-5-[2-(4-nitrophenyl)hydrazino]pyridin-3-one
IUPAC Name: 2-imino-5-[2-(4-nitrophenyl)hydrazinyl]pyridin-3-one
SYSTEMATIC NAME: 2-azanylidene-5-[2-(4-nitrophenyl)hydrazinyl]pyridin-3-one
MOLECULAR FORMULA: C11H9N5O3
MOLECULAR WEIGHT: 259.22086
SMILES: C1=CC(=CC=C1NNC2=CC(=O)C(=N)N=C2)[N+](=O)[O-]

CAS RN: 79145-97-4
CAS Name: 5-[(2,4-dinitrophenyl)hydrazo]-2-imino-3-pyridinone
OPENEYE Name: 5-[2-(2,4-dinitrophenyl)hydrazino]-2-imino-pyridin-3-one
IUPAC Name: 5-[2-(2,4-dinitrophenyl)hydrazinyl]-2-iminopyridin-3-one
SYSTEMATIC NAME: 2-azanylidene-5-[2-(2,4-dinitrophenyl)hydrazinyl]pyridin-3-one
MOLECULAR FORMULA: C11H8N6O5
MOLECULAR WEIGHT: 304.21842
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNC2=CC(=O)C(=N)N=C2

CAS RN: 122833-44-7
CAS Name: 2-dodecyl-1,3,2$l^{5}-dioxaphosphorinane 2-oxide
OPENEYE Name: 2-dodecyl-1,3,2$l^{5}-dioxaphosphinane 2-oxide
IUPAC Name: 2-dodecyl-1,3,2$l^{5}-dioxaphosphinane 2-oxide
SYSTEMATIC NAME: 2-dodecyl-1,3,2$l^{5}-dioxaphosphinane 2-oxide
MOLECULAR FORMULA: C15H31O3P
MOLECULAR WEIGHT: 290.378601
SMILES: CCCCCCCCCCCCP1(=O)OCCCO1

CAS RN: 69340-48-3
CAS Name: N-methyl-2-(nitrothio)ethanimidic acid methyl ester
OPENEYE Name: methyl N-methyl-2-nitrosulfanyl-ethanimidate
IUPAC Name: methyl N-methyl-2-nitrosulfanylethanimidate
SYSTEMATIC NAME: methyl N-methyl-2-nitrosulfanyl-ethanimidate
MOLECULAR FORMULA: C4H8N2O3S
MOLECULAR WEIGHT: 164.18292
SMILES: CN=C(CS[N+](=O)[O-])OC

CAS RN: 83968-72-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H20N10Na4O20S4
MOLECULAR WEIGHT: 1156.83948
SMILES: C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC(=C(C=C4O)O)N=NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=CC=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])O)[N+](=O)[O-].[Na+].[Na+].[Na+].[Na+]

CAS RN: 94134-52-8
CAS Name: tetrapotassium 5-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrapotassium 5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-[(E)-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrapotassium 5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrapotassium 5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C26H18K4N4O8S2+2
MOLECULAR WEIGHT: 734.96632
SMILES: C1=CC(=O)C=CC1=NNC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NN=C4C=CC(=O)C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+].[K+]

CAS RN: 91768-46-6
CAS Name: 4-[(4-amino-3-methoxyphenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(4-amino-3-methoxy-phenyl)hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(4-amino-3-methoxyphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(4-azanyl-3-methoxy-phenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: COC1=C(C=CC(=C1)NN=C2C=CC(=O)C=C2)N

CAS RN: 72894-25-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H19N11Na2O15S2
MOLECULAR WEIGHT: 931.6889
SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C(=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-])O)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C(=C5O)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

CAS RN: 71788-99-3
CAS Name: (E)-2-hexadecenoic acid hexadecyl ester
OPENEYE Name: hexadecyl (E)-hexadec-2-enoate
IUPAC Name: hexadecyl (E)-hexadec-2-enoate
SYSTEMATIC NAME: hexadecyl (E)-hexadec-2-enoate
MOLECULAR FORMULA: C32H62O2
MOLECULAR WEIGHT: 478.83348
SMILES: CCCCCCCCCCCCCCCCOC(=O)/C=C/CCCCCCCCCCCCC

CAS RN: 68134-21-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H30N9O15S3-
MOLECULAR WEIGHT: 984.9232
SMILES: COC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)NC5=CC(=C(C=C5)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])O)O)O

CAS RN: 16482-02-3
CAS Name: azanide; nitroxyl anion; ruthenium(5+); dichloride; hydrate
OPENEYE Name: azanide; nitroxyl anion; ruthenium(5+); dichloride; hydrate
IUPAC Name: azanide; nitroxyl anion; ruthenium(5+); dichloride; hydrate
SYSTEMATIC NAME: azanide; oxoazanide; ruthenium(5+); dichloride; hydrate
MOLECULAR FORMULA: Cl2H10N5O2Ru-2
MOLECULAR WEIGHT: 284.0877
SMILES: [NH2-].[NH2-].[NH2-].[NH2-].[N-]=O.O.[Cl-].[Cl-].[Ru+5]

CAS RN: 15654-59-8
CAS Name: azanide; dibromopalladium
OPENEYE Name: azanide; dibromopalladium
IUPAC Name: azanide; dibromopalladium
SYSTEMATIC NAME: azanide; bis(bromanyl)palladium
MOLECULAR FORMULA: Br2H4N2Pd-2
MOLECULAR WEIGHT: 298.27316
SMILES: [NH2-].[NH2-].Br[Pd]Br

CAS RN: 41588-57-2
CAS Name: (E)-4,5,18-trihydroxy-2-octadecenoic acid methyl ester
OPENEYE Name: methyl (E)-4,5,18-trihydroxyoctadec-2-enoate
IUPAC Name: methyl (E)-4,5,18-trihydroxyoctadec-2-enoate
SYSTEMATIC NAME: methyl (E)-4,5,18-tris(oxidanyl)octadec-2-enoate
MOLECULAR FORMULA: C19H36O5
MOLECULAR WEIGHT: 344.48614
SMILES: COC(=O)/C=C/C(C(CCCCCCCCCCCCCO)O)O

CAS RN: 38578-30-2
CAS Name: 5,5-bis(bromomethyl)-2-(2,4,6-tribromophenoxy)-1,3,2$l^{5}-dioxaphosphorinane 2-oxide
OPENEYE Name: 5,5-bis(bromomethyl)-2-(2,4,6-tribromophenoxy)-1,3,2$l^{5}-dioxaphosphinane 2-oxide
IUPAC Name: 5,5-bis(bromomethyl)-2-(2,4,6-tribromophenoxy)-1,3,2$l^{5}-dioxaphosphinane 2-oxide
SYSTEMATIC NAME: 5,5-bis(bromomethyl)-2-[2,4,6-tris(bromanyl)phenoxy]-1,3,2$l^{5}-dioxaphosphinane 2-oxide
MOLECULAR FORMULA: C11H10Br5O4P
MOLECULAR WEIGHT: 636.688461
SMILES: C1C(COP(=O)(O1)OC2=C(C=C(C=C2Br)Br)Br)(CBr)CBr

CAS RN: 93922-68-0
CAS Name: (E)-2-hexadecenoic acid octadecyl ester
OPENEYE Name: octadecyl (E)-hexadec-2-enoate
IUPAC Name: octadecyl (E)-hexadec-2-enoate
SYSTEMATIC NAME: octadecyl (E)-hexadec-2-enoate
MOLECULAR FORMULA: C34H66O2
MOLECULAR WEIGHT: 506.88664
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)/C=C/CCCCCCCCCCCCC

CAS RN: 93892-61-6
CAS Name: acetic acid [3-[(1E)-1-cyclooctenyl]-2-methylpropyl] ester
OPENEYE Name: [3-[(1E)-cycloocten-1-yl]-2-methyl-propyl] acetate
IUPAC Name: [3-[(1E)-cycloocten-1-yl]-2-methylpropyl] acetate
SYSTEMATIC NAME: [3-[(1E)-cycloocten-1-yl]-2-methyl-propyl] ethanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CC(C/C/1=C/CCCCCC1)COC(=O)C

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