CAS RN: 81844-67-9
CAS Name: 3-[(2E,4E)-4,6-dimethyl-1-oxoocta-2,4-dienyl]-1,2-dihydroxy-5-(4-hydroxyphenyl)-4-pyridinone
OPENEYE Name: 3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,2-dihydroxy-5-(4-hydroxyphenyl)pyridin-4-one
IUPAC Name: 3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,2-dihydroxy-5-(4-hydroxyphenyl)pyridin-4-one
SYSTEMATIC NAME: 3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-1,2-bis(oxidanyl)pyridin-4-one
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CCC(C)/C=C(\C)/C=C/C(=O)C1=C(N(C=C(C1=O)C2=CC=C(C=C2)O)O)O
Structure:
CAS RN: 81827-54-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: C/C=C\1/CN2CCC34C(C1CC2C3N(C5=C4C=C(C=C5)O)C)C(=O)OC
Structure:
CAS RN: 81542-94-1
CAS Name: benzoic acid [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] ester
OPENEYE Name: [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4-diacetoxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
IUPAC Name: [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4-diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
SYSTEMATIC NAME: [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-11-oxidanyl-9-oxidanylidene-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
MOLECULAR FORMULA: C31H40O8
MOLECULAR WEIGHT: 540.6445
SMILES: C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(\[C@@H](CC(=O)C(/C=C\[C@H]([C@H]2OC(=O)C)C)(C)C)O)/C)OC(=O)C
Structure:
CAS RN: 81531-12-6
CAS Name: (8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H46
MOLECULAR WEIGHT: 394.67554
SMILES: CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)C(C)C
Structure:
CAS RN: 81500-71-2
CAS Name: (12Z)-heptadeca-1,12-diene
OPENEYE Name: (12Z)-heptadeca-1,12-diene
IUPAC Name: (12Z)-heptadeca-1,12-diene
SYSTEMATIC NAME: (12Z)-heptadeca-1,12-diene
MOLECULAR FORMULA: C17H32
MOLECULAR WEIGHT: 236.43598
SMILES: CCCC/C=C\CCCCCCCCCC=C
Structure:
CAS RN: 81552-33-2
CAS Name: carbamic acid [(2R,3S,4R,6R)-6-[[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[
OPENEYE Name: [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methyl-butyl]-2-hydroxy-5-methyl-6-[(E)-prop-1-
IUPAC Name: [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl
SYSTEMATIC NAME: [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-3,17-dimethoxy-7,9,11,13,15-pentamethyl-10,12-bis(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6
MOLECULAR FORMULA: C45H73NO14
MOLECULAR WEIGHT: 852.05942
SMILES: C/C=C/[C@@H]1[C@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@H](/C=C/C=C(/C[C@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)C)O)C)\C)OC)O)O)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)C
Structure:
CAS RN: 159605-70-6
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,
MOLECULAR FORMULA: C61H109N11O12
MOLECULAR WEIGHT: 1188.58466
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)C)C
Structure:
CAS RN: 160796-24-7
CAS Name: (3Z)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxo-2-pyranyl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
OPENEYE Name: (3Z)-3a,6,6,9a-tetramethyl-3-[(2E,4E)-1-methyl-5-(5-methyl-6-oxo-pyran-2-yl)hexa-2,4-dienylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
IUPAC Name: (3Z)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
SYSTEMATIC NAME: (3Z)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxidanylidene-pyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
MOLECULAR FORMULA: C30H38O4
MOLECULAR WEIGHT: 462.62032
SMILES: CC1=CC=C(OC1=O)/C(=C/C=C/C(=C/2\C(=O)CC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)/C)/C
Structure:
CAS RN: 160858-31-1
CAS Name: 4-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-9-methoxy-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]-9-methoxy-furo[3,2-g]chromen-7-one
IUPAC Name: 4-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-9-methoxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-[(E)-3-(dioxidanyl)-3-methyl-but-1-enyl]-9-methoxy-furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: CC(C)(/C=C/C1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)OO
Structure:
CAS RN: 158761-04-7
CAS Name: (5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-(methylamino)-4-imidazolone
OPENEYE Name: (5E)-5-(1H-indol-3-ylmethylene)-1-methyl-2-(methylamino)imidazol-4-one
IUPAC Name: (5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-(methylamino)imidazol-4-one
SYSTEMATIC NAME: (5E)-5-(1H-indol-3-ylmethylidene)-1-methyl-2-(methylamino)imidazol-4-one
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: CNC1=NC(=O)/C(=C\C2=CNC3=CC=CC=C32)/N1C
Structure:
CAS RN: 159021-01-9
CAS Name: (2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentyl-2-indol-1-iumyl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide
OPENEYE Name: 2-[(1E,3E,5E,7E)-7-(3,3-dimethyl-1-pentyl-indolin-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-1-pentyl-indol-1-ium iodide
IUPAC Name: (2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide
SYSTEMATIC NAME: (2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentyl-indol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentyl-indole iodide
MOLECULAR FORMULA: C37H49IN2
MOLECULAR WEIGHT: 648.70283
SMILES: CCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCC)(C)C.[I-]
Structure:
CAS RN: 159359-57-6
CAS Name: 4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]benzoic acid
OPENEYE Name: 4-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]benzoic acid
IUPAC Name: 4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]benzoic acid
MOLECULAR FORMULA: C24H28O4
MOLECULAR WEIGHT: 380.47672
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 81416-44-6
CAS Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid
OPENEYE Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoic acid
IUPAC Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoic acid
SYSTEMATIC NAME: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoic acid
MOLECULAR FORMULA: C18H15F3O4
MOLECULAR WEIGHT: 352.30451
SMILES: CC(/C=C/C(=O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 81279-34-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O12
MOLECULAR WEIGHT: 574.57306
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@]3(C(=O)C(O[C@]3([C@]2([C@]45[C@@]1([C@@H](OC(=O)[C@H]4O5)C6=COC=C6)C)C)O)(C)C)O)(C)/C=C\C(=O)OC
Structure:
CAS RN: 80981-95-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N4O4
MOLECULAR WEIGHT: 674.8708
SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC=C5C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 80981-94-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N4O4
MOLECULAR WEIGHT: 674.8708
SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 80981-93-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N4O4
MOLECULAR WEIGHT: 674.8708
SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 80953-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO3
MOLECULAR WEIGHT: 305.41188
SMILES: CC1=C(C(=O)[C@]/23CCCN(CC/C=C2/[C@H](C[C@@H]3C1)O)C)OC
Structure:
CAS RN: 80618-96-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39NO5
MOLECULAR WEIGHT: 493.63436
SMILES: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4C2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C
Structure:
CAS RN: 81381-68-2
CAS Name: (E)-1-[3-[(1S,5R,6S)-6-[[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-oxomethyl]-5-(2,4-dihydroxyphenyl)-3-methyl-1-cyclohex-2-enyl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[3-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-2,4-dihydroxy-phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[3-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[2,4-bis(oxidanyl)phenyl]-1-[3-[(1S,5R,6S)-5-[2,4-bis(oxidanyl)phenyl]-3-methyl-6-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]carbonyl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C40H38O10
MOLECULAR WEIGHT: 678.72372
SMILES: CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O
Structure:
CAS RN: 81338-26-3
CAS Name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyl-1-dopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaenol
OPENEYE Name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-ol
IUPAC Name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-ol
SYSTEMATIC NAME: (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-ol
MOLECULAR FORMULA: C65H106O
MOLECULAR WEIGHT: 903.53654
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 81308-77-2
CAS Name: 5-[(Z)-3-methoxy-2-nitro-3-oxoprop-1-enyl]-2-furancarboxylic acid methyl ester
OPENEYE Name: methyl 5-[(Z)-3-methoxy-2-nitro-3-oxo-prop-1-enyl]furan-2-carboxylate
IUPAC Name: methyl 5-[(Z)-3-methoxy-2-nitro-3-oxoprop-1-enyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[(Z)-3-methoxy-2-nitro-3-oxidanylidene-prop-1-enyl]furan-2-carboxylate
MOLECULAR FORMULA: C10H9NO7
MOLECULAR WEIGHT: 255.18096
SMILES: COC(=O)C1=CC=C(O1)/C=C(/C(=O)OC)\[N+](=O)[O-]
Structure:
CAS RN: 81304-51-0
CAS Name: (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]-2-propen-1-ol
OPENEYE Name: (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
IUPAC Name: (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SYSTEMATIC NAME: (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
MOLECULAR FORMULA: C17H18F3N3O3
MOLECULAR WEIGHT: 369.33833
SMILES: CC1(COCOC1)C(/C(=C\C2=CC=C(C=C2)C(F)(F)F)/N3C=NC=N3)O
Structure:
CAS RN: 81210-11-9
CAS Name: (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(Z)-3-hydroxy-1-oxoprop-2-enyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one
OPENEYE Name: (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(1R)-1-(hydroxymethyl)propyl]-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-decalin-1-one
IUPAC Name: (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one
SYSTEMATIC NAME: (2S,3R,4R,4aS,5R,7R,8aS)-2,4,5,7-tetramethyl-2,7-bis(oxidanyl)-3-[(2R)-1-oxidanylbutan-2-yl]-4-[(Z)-3-oxidanylprop-2-enoyl]-3,4a,5,6,8,8a-hexahydronaphthalen-1-one
MOLECULAR FORMULA: C21H34O6
MOLECULAR WEIGHT: 382.49106
SMILES: CC[C@@H](CO)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)/C=C\O
Structure:
CAS RN: 81148-83-6
CAS Name: 1,2,3-trimethoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1,2,3-trimethoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 1,2,3-trimethoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: C/C=C/C1=C(C(=C(C=C1)OC)OC)OC
Structure:
CAS RN: 81127-21-1
CAS Name: 2-methylbutanoic acid [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-7-(3-methyl-1-oxobutoxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-7-(3-methylbutanoyloxy)-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate
IUPAC Name: [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-7-(3-methylbutanoyloxy)-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate
SYSTEMATIC NAME: [6-acetyloxy-3,6,9-trimethyl-7-(3-methylbutanoyloxy)-8-[(E)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbutanoate
MOLECULAR FORMULA: C32H46O12
MOLECULAR WEIGHT: 622.70044
SMILES: CCC(C)C(=O)OC1CC(C2C(C(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)/C(=C/C)/C)OC(=O)CC(C)C)(C)OC(=O)C
Structure:
CAS RN: 80994-68-9
CAS Name: (E)-dec-2-en-4,6-diynoic acid
OPENEYE Name: (E)-dec-2-en-4,6-diynoic acid
IUPAC Name: (E)-dec-2-en-4,6-diynoic acid
SYSTEMATIC NAME: (E)-dec-2-en-4,6-diynoic acid
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CCCC#CC#C/C=C/C(=O)O
Structure:
CAS RN: 80855-73-8
CAS Name: (1R,3S)-2,2-dimethyl-3-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-tert-butoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]cyclopropane-1-carboxylate
MOLECULAR FORMULA: C27H29NO5
MOLECULAR WEIGHT: 447.52286
SMILES: CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C)(C)C)C
Structure:
CAS RN: 165171-15-3
CAS Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
OPENEYE Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
IUPAC Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
MOLECULAR FORMULA: C39H54O6
MOLECULAR WEIGHT: 618.84246
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)COC(=O)/C=C\C6=CC=C(C=C6)O
Structure:
CAS RN: 80558-45-8
CAS Name: (2Z,4Z,6Z)-eicosa-2,4,6-trienoic acid
OPENEYE Name: (2Z,4Z,6Z)-icosa-2,4,6-trienoic acid
IUPAC Name: (2Z,4Z,6Z)-icosa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z)-icosa-2,4,6-trienoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CCCCCCCCCCCCC/C=C\C=C/C=C\C(=O)O
Structure:
CAS RN: 80510-09-4
CAS Name: (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide
OPENEYE Name: (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
IUPAC Name: (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SYSTEMATIC NAME: (Z)-N-[2-(4-hydroxyphenyl)ethyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: COC1=C(C=CC(=C1)/C=C\C(=O)NCCC2=CC=C(C=C2)O)O
Structure:
CAS RN: 80510-06-1
CAS Name: (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-3-carboxamide
OPENEYE Name: (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxo-prop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-3-carboxamide
IUPAC Name: (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
SYSTEMATIC NAME: (2R,3R)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
MOLECULAR FORMULA: C36H36N2O8
MOLECULAR WEIGHT: 624.67964
SMILES: COC1=CC(=CC2=C1O[C@H]([C@@H]2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)/C=C/C(=O)NCCC5=CC=C(C=C5)O
Structure:
CAS RN: 80416-52-0
CAS Name: (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]ethyl]-5'-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
IUPAC Name: methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxidanylidene-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
MOLECULAR FORMULA: C30H32O14
MOLECULAR WEIGHT: 616.56668
SMILES: CC(C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)OC(=O)/C=C/C5=CC=C(C=C5)O
Structure:
CAS RN: 80405-17-0
CAS Name: (2S)-2-hydroxy-3-methyl-2-[1-[(E)-2-methyl-1-oxobut-2-enoxy]ethyl]butanoic acid [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-acetoxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-isopropyl-3-[(E)-2-methylbut-2-enoyl]oxy-butanoate
IUPAC Name: [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
SYSTEMATIC NAME: [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-3-methyl-2-[1-[(E)-2-methylbut-2-enoyl]oxyethyl]-2-oxidanyl-butanoate
MOLECULAR FORMULA: C22H33NO7
MOLECULAR WEIGHT: 423.49992
SMILES: C/C=C(\C)/C(=O)OC(C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O
Structure:
CAS RN: 80375-67-3
CAS Name: acetic acid [(9Z,13E)-6-hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl] ester
OPENEYE Name: [(9Z,13E)-6-hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl] acetate
IUPAC Name: [(9Z,13E)-6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl] acetate
SYSTEMATIC NAME: [(9Z,13E)-6,10,14-trimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl] ethanoate
MOLECULAR FORMULA: C22H32O5
MOLECULAR WEIGHT: 376.48648
SMILES: C/C/1=C/CCC(C(CC2C(C/C(=C/CC1)/C)OC(=O)C2=C)OC(=O)C)(C)O
Structure:
CAS RN: 80405-18-1
CAS Name: (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methyl-1-oxobut-2-enoxy]ethyl]butanoic acid [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3S)-2-hydroxy-2-isopropyl-3-[(E)-2-methylbut-2-enoyl]oxy-butanoate
IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
SYSTEMATIC NAME: [(7R,8R)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]-2-oxidanyl-butanoate
MOLECULAR FORMULA: C20H31NO6
MOLECULAR WEIGHT: 381.46324
SMILES: C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O
Structure:
CAS RN: 80377-39-5
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[2-(4-methoxy-3-oxidanyl-phenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C31H40O15
MOLECULAR WEIGHT: 652.6403
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)O)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
Structure:
CAS RN: 80287-16-7
CAS Name: (2S)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxy-propanoate
IUPAC Name: methyl (2S)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
SYSTEMATIC NAME: methyl (2S)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: C/C=C/1\CN2CCC3=C([C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC)NC4=CC=CC=C34
Structure:
CAS RN: 119637-66-0
CAS Name: (E)-2-butenedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: fumaric acid; 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C34H54N2O10
MOLECULAR WEIGHT: 650.79996
SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 79985-31-2
CAS Name: (E)-2-butenedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: fumaric acid; 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
IUPAC Name: (E)-but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C34H54N2O10
MOLECULAR WEIGHT: 650.79996
SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 79890-53-2
CAS Name: (E)-3-phenyl-2-propenoic acid [(10E,12Z)-hexadeca-10,12-dienyl] ester
OPENEYE Name: [(10E,12Z)-hexadeca-10,12-dienyl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(10E,12Z)-hexadeca-10,12-dienyl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(10E,12Z)-hexadeca-10,12-dienyl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C25H36O2
MOLECULAR WEIGHT: 368.55214
SMILES: CCC/C=C\C=C\CCCCCCCCCOC(=O)/C=C/C1=CC=CC=C1
Structure:
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