Friday, October 28, 2011

http://ChemLookup.com Compounds




CAS RN: 89998-98-1
CAS Name: 2-[(E)-1,2-diphenylethenyl]benzofuran
OPENEYE Name: 2-[(E)-1,2-diphenylvinyl]benzofuran
IUPAC Name: 2-[(E)-1,2-diphenylethenyl]-1-benzofuran
SYSTEMATIC NAME: 2-[(E)-1,2-diphenylethenyl]-1-benzofuran
MOLECULAR FORMULA: C22H16O
MOLECULAR WEIGHT: 296.36184
SMILES: C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C3=CC4=CC=CC=C4O3
Structure:

CAS RN: 88529-43-5
CAS Name: (E)-2-pentyl-2-nonenal
OPENEYE Name: (E)-2-pentylnon-2-enal
IUPAC Name: (E)-2-pentylnon-2-enal
SYSTEMATIC NAME: (E)-2-pentylnon-2-enal
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CCCCCC/C=C(\CCCCC)/C=O
Structure:

CAS RN: 84303-91-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O6Si
MOLECULAR WEIGHT: 492.72016
SMILES: CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)/C=C(/C)\CCO[Si](C)(C)C(C)(C)C
Structure:

CAS RN: 81824-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H16
MOLECULAR WEIGHT: 280.36244
SMILES: C/C=C/1\CC2=C(C=C1)C=C3C4=CC=CC=C4C5=CC=CC2=C53
Structure:

CAS RN: 80514-96-1
CAS Name: (2E,4E)-6-[(Z)-5-methoxy-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-6-[(Z)-5-methoxy-3-methyl-5-oxo-pent-3-enoxy]-6-oxo-hexa-2,4-dienoic acid
IUPAC Name: (2E,4E)-6-[(Z)-5-methoxy-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-6-[(Z)-5-methoxy-3-methyl-5-oxidanylidene-pent-3-enoxy]-6-oxidanylidene-hexa-2,4-dienoic acid
MOLECULAR FORMULA: C13H16O6
MOLECULAR WEIGHT: 268.26254
SMILES: C/C(=C/C(=O)OC)/CCOC(=O)/C=C/C=C/C(=O)O
Structure:

CAS RN: 79328-03-3
CAS Name: (2R)-2-amino-3-[[(E)-1-chloro-2-fluoroethenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(E)-1-chloro-2-fluoro-vinyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[(E)-1-chloro-2-fluoroethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(E)-1-chloranyl-2-fluoranyl-ethenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H7ClFNO2S
MOLECULAR WEIGHT: 199.630983
SMILES: C([C@@H](C(=O)O)N)S/C(=C\F)/Cl
Structure:

CAS RN: 59157-29-8
CAS Name: (E)-13-$l^{1}-oxidanyloxy-9-octadecenoic acid
OPENEYE Name: (E)-13-$l^{1}-oxidanyloxyoctadec-9-enoic acid
IUPAC Name: (E)-13-$l^{1}-oxidanyloxyoctadec-9-enoic acid
SYSTEMATIC NAME: (E)-13-$l^{1}-oxidanyloxyoctadec-9-enoic acid
MOLECULAR FORMULA: C18H33O4
MOLECULAR WEIGHT: 313.45222
SMILES: CCCCCC(CC/C=C/CCCCCCCC(=O)O)O[O]
Structure:

CAS RN: 42461-91-6
CAS Name: acetic acid [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(1,3-benzodioxol-5-yl)allyl] acetate
IUPAC Name: [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: CC(=O)OC/C=C/C1=CC2=C(C=C1)OCO2
Structure:

CAS RN: 40785-63-5
CAS Name: (2Z,8Z,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
OPENEYE Name: (2Z,8Z,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
IUPAC Name: (2Z,8Z,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
SYSTEMATIC NAME: (2Z,8Z,11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
MOLECULAR FORMULA: C18H20O5
MOLECULAR WEIGHT: 316.3484
SMILES: C[C@H]1C/C=C\C(=O)CCC/C=C\C2=CC(=CC(=C2C(=O)O1)O)O
Structure:

CAS RN: 18709-08-5
CAS Name: 5-[[(2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethylnona-2,6-dienoxy]methyl]-1,3-benzodioxole
OPENEYE Name: 5-[[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]methyl]-1,3-benzodioxole
IUPAC Name: 5-[[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoxy]methyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]methyl]-1,3-benzodioxole
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: C/C(=C\CC/C(=C/COCC1=CC2=C(C=C1)OCO2)/C)/CCC3C(O3)(C)C
Structure:

CAS RN: 75001-15-9
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-phenylnona-2,4,6,8-tetraenal
OPENEYE Name: (2E,4E,6E,8E)-3,7-dimethyl-9-phenyl-nona-2,4,6,8-tetraenal
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-phenylnona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-9-phenyl-nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C17H18O
MOLECULAR WEIGHT: 238.32422
SMILES: C/C(=C\C=O)/C=C/C=C(\C)/C=C/C1=CC=CC=C1
Structure:

CAS RN: 74841-69-3
CAS Name: (5S,7E,9E,11E,14Z)-6-[[(2R)-2-amino-3-[[(4S)-4-amino-4-carboxy-1-oxobutyl]-(carboxymethyl)amino]-3-oxopropyl]thio]-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,7E,9E,11E,14Z)-6-[(2R)-2-amino-3-[[(4S)-4-amino-4-carboxy-butanoyl]-(carboxymethyl)amino]-3-oxo-propyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,7E,9E,11E,14Z)-6-[(2R)-2-amino-3-[[(4S)-4-amino-4-carboxybutanoyl]-(carboxymethyl)amino]-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,7E,9E,11E,14Z)-6-[(2R)-2-azanyl-3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-(2-hydroxy-2-oxoethyl)amino]-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C30H47N3O9S
MOLECULAR WEIGHT: 625.77388
SMILES: CCCCC/C=C\C/C=C/C=C/C=C/C([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N
Structure:

CAS RN: 74838-73-6
CAS Name: (5E,8E,10E,14E,17E)-12-hydroxyeicosa-5,8,10,14,17-pentaenoic acid
OPENEYE Name: (5E,8E,10E,14E,17E)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
IUPAC Name: (5E,8E,10E,14E,17E)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
SYSTEMATIC NAME: (5E,8E,10E,14E,17E)-12-oxidanylicosa-5,8,10,14,17-pentaenoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CC/C=C/C/C=C/CC(/C=C/C=C/C/C=C/CCCC(=O)O)O
Structure:

CAS RN: 74479-75-7
CAS Name: (2E,4E,6E,8E)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E,6E,8E)-9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2E,4E,6E,8E)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2E,4E,6E,8E)-9-(3-chloranyl-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H27ClO2
MOLECULAR WEIGHT: 358.90158
SMILES: CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)C)Cl)C
Structure:

CAS RN: 74409-92-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H39NO5
MOLECULAR WEIGHT: 481.62366
SMILES: C[C@@H]1CCC[C@H](CCC(=O)OC23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O
Structure:

CAS RN: 74004-31-2
CAS Name: (5E,8E,10E,14E)-12-hydroxyheptadeca-5,8,10,14-tetraenoic acid
OPENEYE Name: (5E,8E,10E,14E)-12-hydroxyheptadeca-5,8,10,14-tetraenoic acid
IUPAC Name: (5E,8E,10E,14E)-12-hydroxyheptadeca-5,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,10E,14E)-12-oxidanylheptadeca-5,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: CC/C=C/CC(/C=C/C=C/C/C=C/CCCC(=O)O)O
Structure:

CAS RN: 73847-63-9
CAS Name: [(2R,3S,5R)-5-[5-[(E)-2-(3-azidophenyl)ethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-[5-[(E)-2-(3-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-[5-[(E)-2-(3-azidophenyl)ethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-[(E)-2-(3-azidophenyl)ethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C17H18N5O8P
MOLECULAR WEIGHT: 451.327281
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC(=CC=C3)N=[N+]=[N-])COP(=O)(O)O)O
Structure:

CAS RN: 73301-54-9
CAS Name: (E,3S)-5-[(1S,2S,5S,6R)-2,6-dimethyl-3,4-dioxabicyclo[3.3.1]nonan-2-yl]-2-methyl-4-pentene-2,3-diol
OPENEYE Name: (E,3S)-5-[(1S,2S,5S,6R)-2,6-dimethyl-3,4-dioxabicyclo[3.3.1]nonan-2-yl]-2-methyl-pent-4-ene-2,3-diol
IUPAC Name: (E,3S)-5-[(1S,2S,5S,6R)-2,6-dimethyl-3,4-dioxabicyclo[3.3.1]nonan-2-yl]-2-methylpent-4-ene-2,3-diol
SYSTEMATIC NAME: (E,3S)-5-[(1S,2S,5S,6R)-2,6-dimethyl-3,4-dioxabicyclo[3.3.1]nonan-2-yl]-2-methyl-pent-4-ene-2,3-diol
MOLECULAR FORMULA: C15H26O4
MOLECULAR WEIGHT: 270.36454
SMILES: C[C@@H]1CC[C@H]2C[C@@H]1OO[C@]2(C)/C=C/[C@@H](C(C)(C)O)O
Structure:

CAS RN: 72728-11-1
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic; [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C65H96CoN14O14P
MOLECULAR WEIGHT: 1387.450101
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]CCN.[Co+3]
Structure:

CAS RN: 19907-28-9
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CC1CCCC(C1/C=C/C(=C\C=C\C(=C/C=O)\C)/C)(C)C
Structure:

CAS RN: 72535-16-1
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CC1CCCC(C1/C=C/C(=C\C=C\C(=C/C=O)\C)/C)(C)C
Structure:

CAS RN: 120163-22-6
CAS Name: (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane
OPENEYE Name: (1S,2S,4R,5R)-1-[(E)-2-bromovinyl]-2,4,5-trichloro-1,5-dimethyl-cyclohexane
IUPAC Name: (1S,2S,4R,5R)-1-[(E)-2-bromoethenyl]-2,4,5-trichloro-1,5-dimethylcyclohexane
SYSTEMATIC NAME: (1S,2S,4R,5R)-1-[(E)-2-bromanylethenyl]-2,4,5-tris(chloranyl)-1,5-dimethyl-cyclohexane
MOLECULAR FORMULA: C10H14BrCl3
MOLECULAR WEIGHT: 320.48116
SMILES: C[C@]1(C[C@@]([C@@H](C[C@@H]1Cl)Cl)(C)Cl)/C=C/Br
Structure:

CAS RN: 120063-23-2
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C40H56N2O4
MOLECULAR WEIGHT: 628.88364
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:

CAS RN: 119979-82-7
CAS Name: 1-methyl-4-[(1E)-2,3,4-trimethylpenta-1,3-dienyl]cyclohexane
OPENEYE Name: 1-methyl-4-[(1E)-2,3,4-trimethylpenta-1,3-dienyl]cyclohexane
IUPAC Name: 1-methyl-4-[(1E)-2,3,4-trimethylpenta-1,3-dienyl]cyclohexane
SYSTEMATIC NAME: 1-methyl-4-[(1E)-2,3,4-trimethylpenta-1,3-dienyl]cyclohexane
MOLECULAR FORMULA: C15H26
MOLECULAR WEIGHT: 206.36694
SMILES: CC1CCC(CC1)/C=C(\C)/C(=C(C)C)C
Structure:

CAS RN: 119766-97-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: C/C/1=C/CCC2(C(O2)C3C(C(C1)O)C(C(=O)O3)CNC(=O)C)C
Structure:

CAS RN: 119766-96-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: C/C/1=C/CCC2(C(O2)C3C(CC1)C(C(=O)O3)CNC(=O)C)C
Structure:

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