CAS RN: 100045-68-9
CAS Name: 2-amino-5-[[3-[[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[6-[(E)-2-carboxyvinyl]-2,3-dihydroxy-phenyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 2-amino-5-[[3-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-[[3-[2,3-bis(oxidanyl)-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H23N3O10S
MOLECULAR WEIGHT: 485.46502
SMILES: C1=CC(=C(C(=C1/C=C/C(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O
Structure:
CAS RN: 100037-00-1
CAS Name: (E)-3-(4-bromo-5-nitro-2-furanyl)-N-[2-(1-piperidinyl)ethyl]-2-propenamide
OPENEYE Name: (E)-3-(4-bromo-5-nitro-2-furyl)-N-[2-(1-piperidyl)ethyl]prop-2-enamide
IUPAC Name: (E)-3-(4-bromo-5-nitrofuran-2-yl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-bromanyl-5-nitro-furan-2-yl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
MOLECULAR FORMULA: C14H18BrN3O4
MOLECULAR WEIGHT: 372.21442
SMILES: C1CCN(CC1)CCNC(=O)/C=C/C2=CC(=C(O2)[N+](=O)[O-])Br
Structure:
CAS RN: 100036-98-4
CAS Name: 2-[[(E)-3-(4-bromo-5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[(E)-3-(4-bromo-5-nitro-2-furyl)prop-2-enoyl]amino]acetate
IUPAC Name: ethyl 2-[[(E)-3-(4-bromo-5-nitrofuran-2-yl)prop-2-enoyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(E)-3-(4-bromanyl-5-nitro-furan-2-yl)prop-2-enoyl]amino]ethanoate
MOLECULAR FORMULA: C11H11BrN2O6
MOLECULAR WEIGHT: 347.11884
SMILES: CCOC(=O)CNC(=O)/C=C/C1=CC(=C(O1)[N+](=O)[O-])Br
Structure:
CAS RN: 100036-97-3
CAS Name: (E)-3-(4,5-dibromo-2-furanyl)-N-(2-hydroxypropyl)-2-propenamide
OPENEYE Name: (E)-3-(4,5-dibromo-2-furyl)-N-(2-hydroxypropyl)prop-2-enamide
IUPAC Name: (E)-3-(4,5-dibromofuran-2-yl)-N-(2-hydroxypropyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-[4,5-bis(bromanyl)furan-2-yl]-N-(2-oxidanylpropyl)prop-2-enamide
MOLECULAR FORMULA: C10H11Br2NO3
MOLECULAR WEIGHT: 353.00724
SMILES: CC(CNC(=O)/C=C/C1=CC(=C(O1)Br)Br)O
Structure:
CAS RN: 99935-65-6
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propen-1-amine
OPENEYE Name: (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: C1=C(NC=N1)/C=C/CN
Structure:
CAS RN: 99910-85-7
CAS Name: (E)-3-(2-hydroxyphenyl)-2-propenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H52O3
MOLECULAR WEIGHT: 532.79628
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC=CC=C5O)C)C
Structure:
CAS RN: 99901-15-2
CAS Name: (5E,8Z,11Z,14Z,17Z)-15-hydroperoxyeicosa-5,8,11,14,17-pentaenoic acid
OPENEYE Name: (5E,8Z,11Z,14Z,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid
IUPAC Name: (5E,8Z,11Z,14Z,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid
SYSTEMATIC NAME: (5E,8Z,11Z,14Z,17Z)-15-(dioxidanyl)icosa-5,8,11,14,17-pentaenoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC/C=C\C/C(=C/C/C=C\C/C=C\C/C=C/CCCC(=O)O)/OO
Structure:
CAS RN: 107397-11-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38O12
MOLECULAR WEIGHT: 614.63692
SMILES: C[C@H]1[C@H]2C[C@@H]3C=C[C@@H]4CC(C(=O)O[C@H]5C(COC(=O)CCC6=C(/C=C/OCC5O)C(=O)OC6=O)/C=C(/[C@]4([C@@H]3[C@@H]1O)O2)\C)OC
Structure:
CAS RN: 99820-21-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38O12
MOLECULAR WEIGHT: 614.63692
SMILES: C[C@H]1[C@H]2C[C@@H]3C=C[C@@H]4CC(C(=O)O[C@H]5C(COC(=O)CCC6=C(/C=C/OCC5O)C(=O)OC6=O)/C=C(/[C@]4([C@@H]3[C@@H]1O)O2)\C)OC
Structure:
CAS RN: 123205-52-7
CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
OPENEYE Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)allyl]piperazine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
MOLECULAR FORMULA: C28H30F2N2O2
MOLECULAR WEIGHT: 464.546806
SMILES: COC1=C(C=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC
Structure:
CAS RN: 99661-27-5
CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine dihydrochloride
OPENEYE Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)allyl]piperazine dihydrochloride
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine dihydrochloride
MOLECULAR FORMULA: C28H32Cl2F2N2O2
MOLECULAR WEIGHT: 537.468686
SMILES: COC1=C(C=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC.Cl.Cl
Structure:
CAS RN: 99660-94-3
CAS Name: (5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoic acid 2,3-bis[(5E,8E,11E,14E,17E)-1-oxoeicosa-5,8,11,14,17-pentaenoxy]propyl ester
OPENEYE Name: 2,3-bis[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy]propyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
IUPAC Name: 2,3-bis[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy]propyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
SYSTEMATIC NAME: 2,3-bis[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy]propyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
MOLECULAR FORMULA: C63H92O6
MOLECULAR WEIGHT: 945.40098
SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Structure:
CAS RN: 99608-22-7
CAS Name: (8R,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodanylethenyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodanylvinyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodanylethenyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,10R,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H27IO2
MOLECULAR WEIGHT: 424.331804
SMILES: C[C@]12CCC3[C@H]([C@@H]1CC[C@]2(/C=C/[125I])O)CCC4=CC(=O)CC[C@H]34
Structure:
CAS RN: 99570-16-8
CAS Name: (E)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxybut-1-enyl]-3-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxybut-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxybut-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,5S)-5-oxidanyl-2-[(E,3S)-3-oxidanylbut-1-enyl]-3-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C16H24O5
MOLECULAR WEIGHT: 296.35876
SMILES: C[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 99566-32-2
CAS Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxohexoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C38H64N5O11P
MOLECULAR WEIGHT: 797.915421
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]
Structure:
CAS RN: 99486-52-9
CAS Name: (2E,8Z)-7-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-11,17-dihydroxy-2,10,12,20-tetramethyl-13-[4-[3-methyl-3-(1-oxopropyl)-2-oxiranyl]pentan-2-yl]-14,21-dioxabicyclo[15.3.1]heneicosa-2,8,19-trien-15-one
OPENEYE Name: (2E,8Z)-7-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-11,17-dihydroxy-2,10,12,20-tetramethyl-13-[1-methyl-3-(3-methyl-3-propanoyl-oxiran-2-yl)butyl]-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
IUPAC Name: (2E,8Z)-7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11,17-dihydroxy-2,10,12,20-tetramethyl-13-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
SYSTEMATIC NAME: (2E,8Z)-2,10,12,20-tetramethyl-7-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-13-[4-(3-methyl-3-propanoyl-oxiran-2-yl)pentan-2-yl]-11,17-bis(oxidanyl)-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
MOLECULAR FORMULA: C40H64O11
MOLECULAR WEIGHT: 720.92956
SMILES: CCC(=O)C1(C(O1)C(C)CC(C)C2C(C(C(/C=C\C(CCC/C=C(/C3C(=CCC(O3)(CC(=O)O2)O)C)\C)OC4CC(C(C(O4)C)O)O)C)O)C)C
Structure:
CAS RN: 99480-76-9
CAS Name: 2-[5-[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]-2-hydroxyphenyl]acetic acid
OPENEYE Name: 2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-hydroxy-phenyl]acetic acid
IUPAC Name: 2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-hydroxyphenyl]acetic acid
SYSTEMATIC NAME: 2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-oxidanyl-phenyl]ethanoic acid
MOLECULAR FORMULA: C17H12Cl2O4
MOLECULAR WEIGHT: 351.18078
SMILES: C1=CC(=C(C=C1C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)CC(=O)O)O
Structure:
CAS RN: 99477-47-1
CAS Name: (E)-N-[(E)-1-[[5-[[5'-acetamido-4',8-dihydroxy-7-(hydroxymethyl)-3-oxo-6'-(1,2,3-trihydroxypropyl)-5-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,2'-oxane]yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxyeicos-4-en-2-yl]-9-octade
OPENEYE Name: (E)-N-[(E)-1-[[5-[5'-acetamido-4',8-dihydroxy-7-(hydroxymethyl)-3-oxo-6'-(1,2,3-trihydroxypropyl)spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-tetrahydropyran]-5-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydrox
IUPAC Name: (E)-N-[(E)-1-[5-[5'-acetamido-4',8-dihydroxy-7-(hydroxymethyl)-3-oxo-6'-(1,2,3-trihydroxypropyl)spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-5-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyicos-4-en-2-yl]octadec-9-ena
SYSTEMATIC NAME: (E)-N-[(E)-1-[5-[5'-acetamido-7-(hydroxymethyl)-4',8-bis(oxidanyl)-3-oxidanylidene-6'-[1,2,3-tris(oxidanyl)propyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-5-yl]oxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-icos
MOLECULAR FORMULA: C61H108N2O20
MOLECULAR WEIGHT: 1189.51162
SMILES: CCCCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)OC2C3C(C(C(O2)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O3)O)O)NC(=O)CCCCCCC/C=C/CCCCCCCC)O
Structure:
CAS RN: 99473-64-0
CAS Name: (2S)-2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enoxy]propanoic acid
OPENEYE Name: (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxypropanoic acid
IUPAC Name: (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxypropanoic acid
MOLECULAR FORMULA: C12H11ClO4
MOLECULAR WEIGHT: 254.66634
SMILES: C[C@@H](C(=O)O)OC(=O)/C=C/C1=CC=C(C=C1)Cl
Structure:
CAS RN: 99473-03-7
CAS Name: (E)-7-[3-[[2-hydroxy-3-(4-methoxyphenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[[2-hydroxy-3-(4-methoxyphenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[[2-hydroxy-3-(4-methoxyphenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[[3-(4-methoxyphenyl)-2-oxidanyl-propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C26H39NO4
MOLECULAR WEIGHT: 429.59216
SMILES: CC1(C2CC1C(C(C2)NCC(CC3=CC=C(C=C3)OC)O)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 99465-62-0
CAS Name: 4-(butan-2-ylamino)-1,1-diphenyl-1-butanol; (E)-2-butenedioic acid
OPENEYE Name: 1,1-diphenyl-4-(sec-butylamino)butan-1-ol; fumaric acid
IUPAC Name: 4-(butan-2-ylamino)-1,1-diphenylbutan-1-ol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 4-(butan-2-ylamino)-1,1-diphenyl-butan-1-ol; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C24H31NO5
MOLECULAR WEIGHT: 413.50664
SMILES: CCC(C)NCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 99465-44-8
CAS Name: (E)-2-butenedioic acid; 4-[di(butan-2-yl)amino]-1,1-diphenyl-1-butanol
OPENEYE Name: 4-(disec-butylamino)-1,1-diphenyl-butan-1-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-[di(butan-2-yl)amino]-1,1-diphenylbutan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[di(butan-2-yl)amino]-1,1-diphenyl-butan-1-ol
MOLECULAR FORMULA: C28H39NO5
MOLECULAR WEIGHT: 469.61296
SMILES: CCC(C)N(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C)CC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 99447-30-0
CAS Name: sulfuric acid [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylenecyclohexyl] ester
OPENEYE Name: [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylene-cyclohexyl] hydrogen sulfate
IUPAC Name: [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
SYSTEMATIC NAME: [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidene-cyclohexyl] hydrogen sulfate
MOLECULAR FORMULA: C27H44O5S
MOLECULAR WEIGHT: 480.70026
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC/C(=C/C=C\3/C[C@H](CCC3=C)OS(=O)(=O)O)/C2)C
Structure:
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