Saturday, October 29, 2011

http://ChemLookup.com Compounds




CAS RN: 125118-57-2
CAS Name: (Z)-1,1,1-trifluoro-4-methyl-3-octen-2-one
OPENEYE Name: (Z)-1,1,1-trifluoro-4-methyl-oct-3-en-2-one
IUPAC Name: (Z)-1,1,1-trifluoro-4-methyloct-3-en-2-one
SYSTEMATIC NAME: (Z)-1,1,1-tris(fluoranyl)-4-methyl-oct-3-en-2-one
MOLECULAR FORMULA: C9H13F3O
MOLECULAR WEIGHT: 194.19413
SMILES: CCCC/C(=C\C(=O)C(F)(F)F)/C
Structure:

CAS RN: 124961-69-9
CAS Name: (E)-2-methyl-2-butenoic acid [(3S,4aR,5S,7R,8S,8aR)-5-acetyloxy-3-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,6S,8aR)-4-acetoxy-6-hydroxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
IUPAC Name: [(3S,4aR,5S,7R,8S,8aR)-5-acetyloxy-3-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3S,4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-3-oxidanyl-8-[2-(5-oxidanylidene-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C27H38O8
MOLECULAR WEIGHT: 490.58582
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CC[C@@H](C13CO3)O)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4
Structure:

CAS RN: 124961-68-8
CAS Name: (E)-2-methyl-2-butenoic acid [(1R,3S,4aR,5S,7R,8S,8aR)-1,3,5-triacetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,6S,8R,8aR)-4,6,8-triacetoxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
IUPAC Name: [(1R,3S,4aR,5S,7R,8S,8aR)-1,3,5-triacetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,3S,4aR,5S,7R,8S,8aR)-1,3,5-triacetyloxy-7,8-dimethyl-8-[2-(5-oxidanylidene-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C31H42O11
MOLECULAR WEIGHT: 590.65858
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](C[C@H]([C@]([C@H]1[C@@H](C[C@@H](C23CO3)OC(=O)C)OC(=O)C)(C)CCC4=CC(=O)OC4)C)OC(=O)C
Structure:

CAS RN: 124961-67-7
CAS Name: (E)-2-methyl-2-butenoic acid [(4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,8aR)-4-hydroxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
IUPAC Name: [(4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4aR,5S,7R,8S,8aR)-7,8-dimethyl-5-oxidanyl-8-[2-(5-oxidanylidene-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C25H36O6
MOLECULAR WEIGHT: 432.54974
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCCC13CO3)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC4=CC(=O)OC4
Structure:

CAS RN: 124961-66-6
CAS Name: (E)-2-methyl-2-butenoic acid [(4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,8aR)-4-acetoxy-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
IUPAC Name: [(4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxidanylidene-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C27H38O7
MOLECULAR WEIGHT: 474.58642
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCCC13CO3)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4
Structure:

CAS RN: 124888-23-9
CAS Name: 2-[(9Z)-18,21-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-24-(hydroxymethyl)-27-[(3-hydroxy-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23,26-nonaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19,22,25-octazacy
OPENEYE Name: 2-[(9Z)-18,21-bis(2-aminoethyl)-12-benzyl-3-(2-chloro-1-hydroxy-ethyl)-9-ethylidene-15-(3-guanidinopropyl)-24-(hydroxymethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxy-a
IUPAC Name: 2-[(9Z)-18,21-bis(2-aminoethyl)-12-benzyl-3-(2-chloro-1-hydroxyethyl)-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-24-(hydroxymethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-
SYSTEMATIC NAME: 2-[(9Z)-18,21-bis(2-azanylethyl)-15-[3-[bis(azanyl)methylideneamino]propyl]-3-(2-chloranyl-1-oxidanyl-ethyl)-9-ethylidene-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-27-(3-oxidanyltetradecanoylamino)-12-(phenylmethyl)-1-oxa-4,7,10,13
MOLECULAR FORMULA: C55H89ClN14O17
MOLECULAR WEIGHT: 1253.83176
SMILES: CCCCCCCCCCCC(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)C(C(=O)O)O)C(CCl)O)O
Structure:

CAS RN: 124805-94-3
CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(3,5-dimethoxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: COC1=CC(=CC(=C1)/C=C/C(=O)N)OC
Structure:

CAS RN: 124787-56-0
CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
OPENEYE Name: N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]hexadecanamide
IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
SYSTEMATIC NAME: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]hexadecanamide
MOLECULAR FORMULA: C34H65NO3
MOLECULAR WEIGHT: 535.8848
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O
Structure:

CAS RN: 124760-17-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H68O16
MOLECULAR WEIGHT: 889.03322
SMILES: C[C@@H]1CCO[C@@]([C@@H]1O)([C@@H]2C[C@@H]3[C@H](O2)/C=C/C(=C/[C@@H](C[C@]4(CC[C@@H](O4)C56CC[C@@](O5)(C[C@@H](O6)[C@@H]7C(=O)C[C@@](O7)([C@H]([C@@H]8CCC9(O8)CCC[C@H](O9)[C@H](C(=O)O3)C)O)C)C(=O)O)C)C)/C)O
Structure:

CAS RN: 124843-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H68O16
MOLECULAR WEIGHT: 889.03322
SMILES: C[C@@H]1CCO[C@@]([C@@H]1O)([C@@H]2C[C@@H]3[C@H](O2)/C=C/C(=C/[C@@H](C[C@]4(CC[C@@H](O4)C56CC[C@@](O5)(C[C@@H](O6)[C@@H]7C(=O)C[C@@](O7)([C@H]([C@@H]8CCC9(O8)CCC[C@H](O9)[C@H](C(=O)O3)C)O)C)C(=O)O)C)C)/C)O
Structure:

CAS RN: 123805-38-9
CAS Name: (1S,2S,4R,5S)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
OPENEYE Name: (1S,2S,4R,5S)-1,2,4-trichloro-5-[(E)-2-chlorovinyl]-1,5-dimethyl-cyclohexane
IUPAC Name: (1S,2S,4R,5S)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
SYSTEMATIC NAME: (1S,2S,4R,5S)-1,2,4-tris(chloranyl)-5-[(E)-2-chloranylethenyl]-1,5-dimethyl-cyclohexane
MOLECULAR FORMULA: C10H14Cl4
MOLECULAR WEIGHT: 276.03016
SMILES: C[C@]1(C[C@]([C@H](C[C@H]1Cl)Cl)(C)Cl)/C=C/Cl
Structure:

CAS RN: 123746-67-8
CAS Name: (3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-4-hydroxy-1,3,3-trimethyl-3'-spiro[2,5-dioxabicyclo[2.2.2]octane-6,6'-oxane]yl]ethyl]-2,2-dimethyl-6-methylenecyclohexyl]ethylidene]-2-oxolanone
OPENEYE Name: (3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-4-hydroxy-1,3,3-trimethyl-spiro[2,5-dioxabicyclo[2.2.2]octane-6,6'-tetrahydropyran]-3'-yl]ethyl]-2,2-dimethyl-6-methylene-cyclohexyl]ethylidene]tetrahydrofuran-2-one
IUPAC Name: (3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-4-hydroxy-1,3,3-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-6,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one
SYSTEMATIC NAME: (3Z)-3-[2-[(3R)-2,2-dimethyl-6-methylidene-3-[2-[(1S,3'S,4S)-1,3,3-trimethyl-4-oxidanyl-spiro[2,5-dioxabicyclo[2.2.2]octane-6,6'-oxane]-3'-yl]ethyl]cyclohexyl]ethylidene]oxolan-2-one
MOLECULAR FORMULA: C30H46O6
MOLECULAR WEIGHT: 502.68264
SMILES: C[C@@]12CC[C@@](C(O1)(C)C)(OC23CC[C@@H](CO3)CC[C@@H]4CCC(=C)C(C4(C)C)C/C=C\5/CCOC5=O)O
Structure:

CAS RN: 123700-03-8
CAS Name: (Z)-3-pentenoyl chloride
OPENEYE Name: (Z)-pent-3-enoyl chloride
IUPAC Name: (Z)-pent-3-enoyl chloride
SYSTEMATIC NAME: (Z)-pent-3-enoyl chloride
MOLECULAR FORMULA: C5H7ClO
MOLECULAR WEIGHT: 118.56148
SMILES: C/C=C\CC(=O)Cl
Structure:

CAS RN: 123452-64-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H33NO5
MOLECULAR WEIGHT: 463.56532
SMILES: CC1C/C=C/C2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=CC=C5)OC(=O)C/C=C(\C1=O)/C)C)C
Structure:

CAS RN: 122876-49-7
CAS Name: (2Z,6Z,8S)-10-[(2S,6R)-6-hydroxy-6-[(4R)-2-oxo-4-thiazolidinyl]-2-oxanyl]-3,8-dimethyldeca-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2Z,6Z,8S)-10-[(2S,6R)-6-hydroxy-6-[(4R)-2-oxothiazolidin-4-yl]tetrahydropyran-2-yl]-3,8-dimethyl-deca-2,6-dienoate
IUPAC Name: methyl (2Z,6Z,8S)-10-[(2S,6R)-6-hydroxy-6-[(4R)-2-oxo-1,3-thiazolidin-4-yl]oxan-2-yl]-3,8-dimethyldeca-2,6-dienoate
SYSTEMATIC NAME: methyl (2Z,6Z,8S)-3,8-dimethyl-10-[(2S,6R)-6-oxidanyl-6-[(4R)-2-oxidanylidene-1,3-thiazolidin-4-yl]oxan-2-yl]deca-2,6-dienoate
MOLECULAR FORMULA: C21H33NO5S
MOLECULAR WEIGHT: 411.55542
SMILES: C[C@@H](CC[C@@H]1CCC[C@@](O1)([C@@H]2CSC(=O)N2)O)/C=C\CC/C(=C\C(=O)OC)/C
Structure:

CAS RN: 122876-48-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H31NO6S
MOLECULAR WEIGHT: 437.54964
SMILES: CC/1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)/C=C(\CCC4C(O4)/C=C1)/C
Structure:

CAS RN: 122752-22-1
CAS Name: (3R,5Z,8Z)-3-hydroxy-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one
OPENEYE Name: (3R,5Z,8Z)-3-hydroxy-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one
IUPAC Name: (3R,5Z,8Z)-3-hydroxy-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one
SYSTEMATIC NAME: (3R,5Z,8Z)-3-oxidanyl-7-[(1E,3E)-undeca-1,3,10-trienyl]-2,3,4,7-tetrahydrooxecin-10-one
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C=CCCCCC/C=C/C=C/C/1/C=C\C[C@H](COC(=O)/C=C1)O
Structure:

CAS RN: 121071-12-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H72N4O16
MOLECULAR WEIGHT: 997.13458
SMILES: C[C@@H]1[C@H](C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)[C@H]([C@H](C(=O)/C=C/C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](C)OC)OC)O)C)OC)OC
Structure:

CAS RN: 122752-20-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H72N4O16
MOLECULAR WEIGHT: 997.13458
SMILES: C[C@@H]1[C@H](C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)[C@H]([C@H](C(=O)/C=C/C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](C)OC)OC)O)C)OC)OC
Structure:

CAS RN: 122587-83-1
CAS Name: (2S)-2-methylbutanoic acid [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-1-spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]yl]-1-(5-oxo-2H-furan-3-yl)ethyl] ester
OPENEYE Name: [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetoxy-4a-(acetoxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-spiro[decalin-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
IUPAC Name: [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
SYSTEMATIC NAME: [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxidanylidene-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
MOLECULAR FORMULA: C34H48O11
MOLECULAR WEIGHT: 632.73832
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CCC23CO3)OC(=O)/C(=C/C)/C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4
Structure:

CAS RN: 122587-82-0
CAS Name: (E)-2-methyl-2-butenoic acid [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-1-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl] ester
OPENEYE Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-8-[(2S)-2-acetoxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[decalin-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxidanylidene-2H-furan-3-yl)ethyl]-7,8-dimethyl-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C31H42O11
MOLECULAR WEIGHT: 590.65858
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCC2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C[C@@H](C4=CC(=O)OC4)OC(=O)C)COC(=O)C
Structure:

CAS RN: 122008-76-8
CAS Name: 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethanol
OPENEYE Name: 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)vinyl]anilino]ethanol
IUPAC Name: 2-[N-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]ethanol
SYSTEMATIC NAME: 2-[methyl-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]amino]ethanol
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CN(CCO)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:

CAS RN: 121917-57-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 121530-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H41N3O2
MOLECULAR WEIGHT: 451.64404
SMILES: CC1/C=C\[C@H](/C=C\C2=C3N1CC/4=C3C(=C(C2C)C(C)C)N(C[C@H](N/C=C4)CO)O)C(C)(C)C
Structure:

CAS RN: 121362-23-0
CAS Name: (2E)-2-(4-methylpent-3-enylidene)butanedial
OPENEYE Name: (2E)-2-(4-methylpent-3-enylidene)butanedial
IUPAC Name: (2E)-2-(4-methylpent-3-enylidene)butanedial
SYSTEMATIC NAME: (2E)-2-(4-methylpent-3-enylidene)butanedial
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC(=CC/C=C(\CC=O)/C=O)C
Structure:

CAS RN: 121350-99-0
CAS Name: (1S,3R,6Z,8S,10R,13R,14S,15R,17S,20Z,24Z,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
OPENEYE Name: (1S,3R,6Z,8S,10R,13R,14S,15R,17S,20Z,24Z,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
IUPAC Name: (1S,3R,6Z,8S,10R,13R,14S,15R,17S,20Z,24Z,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylidene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
SYSTEMATIC NAME: (1S,3R,6Z,8S,10R,13R,14S,15R,17S,20Z,24Z,26S)-3,7,8,15,17,20-hexamethyl-5-methylidene-8,10,13,14-tetrakis(oxidanyl)-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-dione
MOLECULAR FORMULA: C32H50O8
MOLECULAR WEIGHT: 562.7346
SMILES: C[C@H]1C[C@H]2[C@@H](O2)/C=C\CC/C=C(\C(=O)O[C@H](C[C@H]([C@@H]([C@H](C(=O)C[C@@H](C[C@](/C(=C\C(=C)C1)/C)(C)O)O)O)O)C)C)/C
Structure:

CAS RN: 121325-68-6
CAS Name: (E)-2-(4-methylpent-3-enyl)-2-butenedial
OPENEYE Name: (E)-2-(4-methylpent-3-enyl)but-2-enedial
IUPAC Name: (E)-2-(4-methylpent-3-enyl)but-2-enedial
SYSTEMATIC NAME: (E)-2-(4-methylpent-3-enyl)but-2-enedial
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC(=CCC/C(=C\C=O)/C=O)C
Structure:

CAS RN: 121325-39-1
CAS Name: acetic acid [3-acetyloxy-5-[(E)-2-(5-acetyloxy-7,8-dimethoxy-3-methyl-4-oxo-1-benzopyran-2-yl)ethenyl]phenyl] ester
OPENEYE Name: [3-acetoxy-5-[(E)-2-(5-acetoxy-7,8-dimethoxy-3-methyl-4-oxo-chromen-2-yl)vinyl]phenyl] acetate
IUPAC Name: [3-acetyloxy-5-[(E)-2-(5-acetyloxy-7,8-dimethoxy-3-methyl-4-oxochromen-2-yl)ethenyl]phenyl] acetate
SYSTEMATIC NAME: [3-acetyloxy-5-[(E)-2-(5-acetyloxy-7,8-dimethoxy-3-methyl-4-oxidanylidene-chromen-2-yl)ethenyl]phenyl] ethanoate
MOLECULAR FORMULA: C26H24O10
MOLECULAR WEIGHT: 496.46276
SMILES: CC1=C(OC2=C(C1=O)C(=CC(=C2OC)OC)OC(=O)C)/C=C/C3=CC(=CC(=C3)OC(=O)C)OC(=O)C
Structure:

CAS RN: 121212-31-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H44O8
MOLECULAR WEIGHT: 568.69766
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1(C([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC
Structure:

CAS RN: 120926-46-7
CAS Name: (E)-3-[4-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-(2,4-dihydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
MOLECULAR FORMULA: C26H30O13
MOLECULAR WEIGHT: 550.5086
SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O
Structure:

CAS RN: 120481-77-8
CAS Name: (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
OPENEYE Name: (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
IUPAC Name: (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
SYSTEMATIC NAME: (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-6,7,14-trimethyl-4,7-bis(oxidanyl)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
MOLECULAR FORMULA: C19H28ClNO7
MOLECULAR WEIGHT: 417.88112
SMILES: C[C@@H]1C[C@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C)(C(C)Cl)O
Structure:

CAS RN: 120381-55-7
CAS Name: (E)-N-(2-methylpropyl)-5-thiophen-2-ylpent-2-en-4-ynamide
OPENEYE Name: (E)-N-isobutyl-5-(2-thienyl)pent-2-en-4-ynamide
IUPAC Name: (E)-N-(2-methylpropyl)-5-thiophen-2-ylpent-2-en-4-ynamide
SYSTEMATIC NAME: (E)-N-(2-methylpropyl)-5-thiophen-2-yl-pent-2-en-4-ynamide
MOLECULAR FORMULA: C13H15NOS
MOLECULAR WEIGHT: 233.3293
SMILES: CC(C)CNC(=O)/C=C/C#CC1=CC=CS1
Structure:

CAS RN: 120381-54-6
CAS Name: (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
OPENEYE Name: (E)-1,8-bis(2-thienyl)oct-4-en-2,6-diyne-1,8-dione
IUPAC Name: (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
SYSTEMATIC NAME: (E)-1,8-dithiophen-2-yloct-4-en-2,6-diyne-1,8-dione
MOLECULAR FORMULA: C16H8O2S2
MOLECULAR WEIGHT: 296.36352
SMILES: C1=CSC(=C1)C(=O)C#C/C=C/C#CC(=O)C2=CC=CS2
Structure:

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