CAS RN: 65655-58-5
CAS Name: (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]-2-butenenitrile hydrochloride
OPENEYE Name: (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenyl]but-2-enenitrile hydrochloride
IUPAC Name: (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]but-2-enenitrile hydrochloride
SYSTEMATIC NAME: (Z)-3-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]phenyl]but-2-enenitrile hydrochloride
MOLECULAR FORMULA: C23H29ClN2O4
MOLECULAR WEIGHT: 432.94036
SMILES: C/C(=C/C#N)/C1=CC=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl
Structure:
CAS RN: 65647-66-7
CAS Name: (2S,3R,4S)-3,4-dihydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
OPENEYE Name: (2S,3R,4S)-3,4-dihydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
IUPAC Name: (2S,3R,4S)-3,4-dihydroxy-2-methyl-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SYSTEMATIC NAME: (2S,3R,4S)-2-methyl-3,4-bis(oxidanyl)-7-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: C/C=C/C1=CC2=C([C@@H]([C@H]([C@@H](O2)C)O)O)C(=O)O1
Structure:
CAS RN: 65452-16-6
CAS Name: (3S,6S,12E)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylene)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
OPENEYE Name: (3S,6S,12E)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
IUPAC Name: (3S,6S,12E)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (3S,6S,12E)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C22H30N4O4
MOLECULAR WEIGHT: 414.498
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C/C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C
Structure:
CAS RN: 64998-20-5
CAS Name: (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
OPENEYE Name: (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
IUPAC Name: (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SYSTEMATIC NAME: (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
MOLECULAR FORMULA: C29H48O2
MOLECULAR WEIGHT: 428.69022
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C(C)C
Structure:
CAS RN: 64597-87-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29ClO8
MOLECULAR WEIGHT: 480.93526
SMILES: C[C@@H]1[C@@H]2[C@@H]([C@@]3([C@H](C(=O)O[C@H]3[C@H](C(=C)/C=C\[C@@H]([C@]2(C=CC1=O)C)OC(=O)C)Cl)C)O)OC(=O)C
Structure:
CAS RN: 64597-86-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H37ClO10
MOLECULAR WEIGHT: 569.04038
SMILES: CCCC(=O)O[C@H]1CC(=O)[C@@H]([C@H]2[C@]1([C@H](/C=C\C(=C)[C@@H]([C@H]3[C@]([C@H]2OC(=O)C)([C@H](C(=O)O3)C)O)Cl)OC(=O)C)C)C
Structure:
CAS RN: 64330-65-0
CAS Name: (2Z,4Z)-hexa-2,4-dienedial
OPENEYE Name: (2Z,4Z)-hexa-2,4-dienedial
IUPAC Name: (2Z,4Z)-hexa-2,4-dienedial
SYSTEMATIC NAME: (2Z,4Z)-hexa-2,4-dienedial
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: C(=C\C=O)\C=C/C=O
Structure:
CAS RN: 64234-42-0
CAS Name: (5E,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
OPENEYE Name: (5E,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
IUPAC Name: (5E,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
SYSTEMATIC NAME: (5E,8E,10E,12S)-12-oxidanylheptadeca-5,8,10-trienoic acid
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCCCC[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 64044-08-2
CAS Name: (9Z,12Z)-14-[(2R,3S)-3-ethyl-2-oxiranyl]tetradeca-9,12-dienoic acid
OPENEYE Name: (9Z,12Z)-14-[(2R,3S)-3-ethyloxiran-2-yl]tetradeca-9,12-dienoic acid
IUPAC Name: (9Z,12Z)-14-[(2R,3S)-3-ethyloxiran-2-yl]tetradeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-14-[(2R,3S)-3-ethyloxiran-2-yl]tetradeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CC[C@H]1[C@H](O1)C/C=C\C/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 62860-52-0
CAS Name: (E)-2-[[(E)-2-methyl-1-oxobut-2-enoxy]methyl]-2-butenoic acid [(5S,7R)-5-acetyloxy-7-[(E)-2-methyl-1-oxobut-2-enoxy]-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(5S,7R)-5-acetoxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (E)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
IUPAC Name: [(5S,7R)-5-acetyloxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (E)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SYSTEMATIC NAME: [(5S,7R)-5-acetyloxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (E)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
MOLECULAR FORMULA: C25H31NO8
MOLECULAR WEIGHT: 473.51554
SMILES: C/C=C(\C)/C(=O)OC/C(=C\C)/C(=O)OCC1=C2[C@@H](C[C@@H](N2C=C1)OC(=O)C)OC(=O)/C(=C/C)/C
Structure:
CAS RN: 62787-38-6
CAS Name: (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
OPENEYE Name: (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
IUPAC Name: (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
SYSTEMATIC NAME: (7E,9E,15E)-heptadeca-1,7,9,15-tetraen-11,13-diyne
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: C/C=C/C#CC#C/C=C/C=C/CCCCC=C
Structure:
CAS RN: 62787-01-3
CAS Name: (Z)-2-[[(E)-2-methyl-1-oxobut-2-enoxy]methyl]-2-butenoic acid [(5S,7R)-5-acetyloxy-7-[(E)-2-methyl-1-oxobut-2-enoxy]-6,7-dihydro-5H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(5S,7R)-5-acetoxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
IUPAC Name: [(5S,7R)-5-acetyloxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SYSTEMATIC NAME: [(5S,7R)-5-acetyloxy-7-[(E)-2-methylbut-2-enoyl]oxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl (Z)-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
MOLECULAR FORMULA: C25H31NO8
MOLECULAR WEIGHT: 473.51554
SMILES: C/C=C(\C)/C(=O)OC/C(=C/C)/C(=O)OCC1=C2[C@@H](C[C@@H](N2C=C1)OC(=O)C)OC(=O)/C(=C/C)/C
Structure:
CAS RN: 62706-41-6
CAS Name: (6Z,10R)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
OPENEYE Name: (6Z,10R)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
IUPAC Name: (6Z,10R)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
SYSTEMATIC NAME: (6Z,10R)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: C[C@@H]1CC/C=C(\CC2=CC(=C(C=C12)O)C)/C
Structure:
CAS RN: 62532-61-0
CAS Name: 4-[(Z)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enyl-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-allyl-4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-methyl-vinyl]-4,5-dimethoxy-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(Z)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(Z)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C21H22O5
MOLECULAR WEIGHT: 354.39638
SMILES: C/C(=C/C1=CC2=C(C=C1)OCO2)/C3(C=C(C(=O)C=C3OC)CC=C)OC
Structure:
CAS RN: 35897-92-8
CAS Name: (5Z)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl (5Z)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxo-ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate
IUPAC Name: methyl (5Z)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (5Z)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxidanylidene-ethyl]-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C25H32O12
MOLECULAR WEIGHT: 524.51438
SMILES: C/C=C\1/C(C(=COC1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O
Structure:
CAS RN: 35761-52-5
CAS Name: (2Z)-2-[(E,2R)-9-[5-(3-furanylmethyl)-3-furanyl]-2,6-dimethylnon-5-enylidene]-5-hydroxy-4-methyl-3-furanone
OPENEYE Name: (2Z)-2-[(E,2R)-9-[5-(3-furylmethyl)-3-furyl]-2,6-dimethyl-non-5-enylidene]-5-hydroxy-4-methyl-furan-3-one
IUPAC Name: (2Z)-2-[(E,2R)-9-[5-(furan-3-ylmethyl)furan-3-yl]-2,6-dimethylnon-5-enylidene]-5-hydroxy-4-methylfuran-3-one
SYSTEMATIC NAME: (2Z)-2-[(E,2R)-9-[5-(furan-3-ylmethyl)furan-3-yl]-2,6-dimethyl-non-5-enylidene]-4-methyl-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C25H30O5
MOLECULAR WEIGHT: 410.5027
SMILES: CC1=C(O/C(=C\[C@H](C)CC/C=C(\C)/CCCC2=COC(=C2)CC3=COC=C3)/C1=O)O
Structure:
CAS RN: 35721-92-7
CAS Name: (E)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-2-propenoic acid
OPENEYE Name: (E)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-prop-2-enoic acid
IUPAC Name: (E)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CN1C2CCC1CC(C2)/C(=C\C(=O)O)/C3=CC=CC=C3
Structure:
CAS RN: 34770-42-8
CAS Name: (Z)-2-butenedioic acid; nitric acid 5-[(6,7,8-trimethoxy-4-quinazolinyl)amino]pentyl ester
OPENEYE Name: maleic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
IUPAC Name: (Z)-but-2-enedioic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
MOLECULAR FORMULA: C20H26N4O10
MOLECULAR WEIGHT: 482.44124
SMILES: COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO[N+](=O)[O-])OC)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 54567-65-6
CAS Name: (Z)-2-butenedioic acid; nitric acid 5-[(6,7,8-trimethoxy-4-quinazolinyl)amino]pentyl ester
OPENEYE Name: maleic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
IUPAC Name: (Z)-but-2-enedioic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
MOLECULAR FORMULA: C20H26N4O10
MOLECULAR WEIGHT: 482.44124
SMILES: COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO[N+](=O)[O-])OC)OC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 34384-71-9
CAS Name: (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,12bS)-2-[(Z)-1-formylprop-1-enyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
IUPAC Name: methyl (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
SYSTEMATIC NAME: methyl (2S,12bS)-2-[(Z)-1-oxidanylidenebut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: C/C=C(\C=O)/[C@@H]1C[C@H]2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3
Structure:
CAS RN: 34272-52-1
CAS Name: (4R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-4-penta-3,4-dienyl-5-azaspiro[5.5]undecan-10-ol
OPENEYE Name: (4R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-4-penta-3,4-dienyl-5-azaspiro[5.5]undecan-10-ol
IUPAC Name: (4R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-4-penta-3,4-dienyl-5-azaspiro[5.5]undecan-10-ol
SYSTEMATIC NAME: (4R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-4-penta-3,4-dienyl-5-azaspiro[5.5]undecan-10-ol
MOLECULAR FORMULA: C19H27NO
MOLECULAR WEIGHT: 285.42378
SMILES: C=C=CCC[C@H]1CCCC2(N1)CCC[C@@H]([C@H]2/C=C\C#C)O
Structure:
CAS RN: 34227-83-3
CAS Name: (Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-9-octadecenamide
OPENEYE Name: (Z)-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]octadec-9-enamide
IUPAC Name: (Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]octadec-9-enamide
MOLECULAR FORMULA: C36H71NO3
MOLECULAR WEIGHT: 565.95384
SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
Structure:
CAS RN: 34221-41-5
CAS Name: (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(4-hydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-hydroxyphenyl)-3-(2-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 34097-92-2
CAS Name: (E)-N,N-dimethyl-4-phenyl-3-buten-2-amine
OPENEYE Name: (E)-N,N-dimethyl-4-phenyl-but-3-en-2-amine
IUPAC Name: (E)-N,N-dimethyl-4-phenylbut-3-en-2-amine
SYSTEMATIC NAME: (E)-N,N-dimethyl-4-phenyl-but-3-en-2-amine
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CC(/C=C/C1=CC=CC=C1)N(C)C
Structure:
CAS RN: 34096-85-0
CAS Name: (9Z,12E)-9-hydroperoxyoctadeca-9,12-dienoic acid
OPENEYE Name: (9Z,12E)-9-hydroperoxyoctadeca-9,12-dienoic acid
IUPAC Name: (9Z,12E)-9-hydroperoxyoctadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12E)-9-(dioxidanyl)octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: CCCCC/C=C/C/C=C(/CCCCCCCC(=O)O)\OO
Structure:
CAS RN: 34020-07-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: C/C=C\1/CN2[C@H]3CC1C4[C@@H]2CC5([C@@H]4OC(=O)C)C3=NC6=CC=CC=C56
Structure:
CAS RN: 33948-69-5
CAS Name: 2-[(E)-2-(benzenesulfonyl)ethenyl]-5-nitrofuran
OPENEYE Name: 2-[(E)-2-(benzenesulfonyl)vinyl]-5-nitro-furan
IUPAC Name: 2-[(E)-2-(benzenesulfonyl)ethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-nitro-5-[(E)-2-(phenylsulfonyl)ethenyl]furan
MOLECULAR FORMULA: C12H9NO5S
MOLECULAR WEIGHT: 279.26856
SMILES: C1=CC=C(C=C1)S(=O)(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 33585-01-2
CAS Name: (E)-4-(6-aminopurin-9-yl)-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate
IUPAC Name: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate
SYSTEMATIC NAME: methyl (E)-4-(6-aminopurin-9-yl)but-2-enoate
MOLECULAR FORMULA: C10H11N5O2
MOLECULAR WEIGHT: 233.22664
SMILES: COC(=O)/C=C/CN1C=NC2=C1N=CN=C2N
Structure:
CAS RN: 33442-48-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H31N3O5
MOLECULAR WEIGHT: 465.54144
SMILES: COC1=C2C=CC(=C1)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\C3=CC(=C(C=C3)O)O2
Structure:
CAS RN: 32839-24-0
CAS Name: (2Z,4Z,6Z)-hexadeca-2,4,6-trienoic acid
OPENEYE Name: (2Z,4Z,6Z)-hexadeca-2,4,6-trienoic acid
IUPAC Name: (2Z,4Z,6Z)-hexadeca-2,4,6-trienoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z)-hexadeca-2,4,6-trienoic acid
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCCCCCCCC/C=C\C=C/C=C\C(=O)O
Structure:
CAS RN: 32839-18-2
CAS Name: (2Z,4Z,6Z,8Z,10Z,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
OPENEYE Name: (2Z,4Z,6Z,8Z,10Z,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
IUPAC Name: (2Z,4Z,6Z,8Z,10Z,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z,10Z,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
MOLECULAR FORMULA: C22H32O2
MOLECULAR WEIGHT: 328.48828
SMILES: CCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C=C/C(=O)O
Structure:
CAS RN: 32381-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H36O4
MOLECULAR WEIGHT: 400.55094
SMILES: C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@H]2CC[C@@H]3C1(C2)CC[C@H]4[C@]3(CCC[C@@]4(C)C(=O)O)C
Structure:
CAS RN: 31934-89-1
CAS Name: (2E)-2-(4-methyl-5-oxo-2-furanylidene)acetic acid
OPENEYE Name: (2E)-2-(4-methyl-5-oxo-2-furylidene)acetic acid
IUPAC Name: (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetic acid
SYSTEMATIC NAME: (2E)-2-(4-methyl-5-oxidanylidene-furan-2-ylidene)ethanoic acid
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: CC1=C/C(=C\C(=O)O)/OC1=O
Structure:
CAS RN: 31869-08-6
CAS Name: 3-[(E)-pentadec-1-enyl]phenol
OPENEYE Name: 3-[(E)-pentadec-1-enyl]phenol
IUPAC Name: 3-[(E)-pentadec-1-enyl]phenol
SYSTEMATIC NAME: 3-[(E)-pentadec-1-enyl]phenol
MOLECULAR FORMULA: C21H34O
MOLECULAR WEIGHT: 302.49406
SMILES: CCCCCCCCCCCCC/C=C/C1=CC(=CC=C1)O
Structure:
CAS RN: 31635-03-7
CAS Name: (1E,4E,6E,8E,10E,12E)-1-hydroxy-1-methoxy-2,12-dimethyl-13-phenyl-3-trideca-1,4,6,8,10,12-hexaenone
OPENEYE Name: (1E,4E,6E,8E,10E,12E)-1-hydroxy-1-methoxy-2,12-dimethyl-13-phenyl-trideca-1,4,6,8,10,12-hexaen-3-one
IUPAC Name: (1E,4E,6E,8E,10E,12E)-1-hydroxy-1-methoxy-2,12-dimethyl-13-phenyltrideca-1,4,6,8,10,12-hexaen-3-one
SYSTEMATIC NAME: (1E,4E,6E,8E,10E,12E)-1-methoxy-2,12-dimethyl-1-oxidanyl-13-phenyl-trideca-1,4,6,8,10,12-hexaen-3-one
MOLECULAR FORMULA: C22H24O3
MOLECULAR WEIGHT: 336.42416
SMILES: C/C(=C\C1=CC=CC=C1)/C=C/C=C/C=C/C=C/C(=O)/C(=C(\O)/OC)/C
Structure:
CAS RN: 31528-44-6
CAS Name: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methyl-pent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H28O12
MOLECULAR WEIGHT: 496.46122
SMILES: CC1=C(C(=C(C2=C1COC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C/C=C(\C)/CCC(=O)O)OC
Structure:
CAS RN: 31514-30-4
CAS Name: (2S)-2-[(1S)-1-acetyloxyethyl]-2,3-dihydroxy-3-methylbutanoic acid [(7S,8S)-7-[(Z)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7S,8S)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1S)-1-acetoxyethyl]-2,3-dihydroxy-3-methyl-butanoate
IUPAC Name: [(7S,8S)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1S)-1-acetyloxyethyl]-2,3-dihydroxy-3-methylbutanoate
SYSTEMATIC NAME: [(7S,8S)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1S)-1-acetyloxyethyl]-3-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C22H33NO8
MOLECULAR WEIGHT: 439.49932
SMILES: C/C=C(/C)\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@]([C@H](C)OC(=O)C)(C(C)(C)O)O
Structure:
CAS RN: 31298-76-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H14O6
MOLECULAR WEIGHT: 290.26806
SMILES: C/C=C\1/[C@H]2C3(C=C[C@H]4[C@@H]3[C@@H](O2)OC=C4C(=O)OC)OC1=O
Structure:
CAS RN: 31272-50-1
CAS Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H56O2
MOLECULAR WEIGHT: 568.87144
SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C
Structure:
CAS RN: 31017-53-5
CAS Name: (Z)-9-octadecene-1,1-diamine
OPENEYE Name: (Z)-octadec-9-ene-1,1-diamine
IUPAC Name: (Z)-octadec-9-ene-1,1-diamine
SYSTEMATIC NAME: (Z)-octadec-9-ene-1,1-diamine
MOLECULAR FORMULA: C18H38N2
MOLECULAR WEIGHT: 282.50772
SMILES: CCCCCCCC/C=C\CCCCCCCC(N)N
Structure:
CAS RN: 89354-45-0
CAS Name: (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propylspiro[4,5-dihydroisobenzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g]isobenzofuran]-1,1'-dione
OPENEYE Name: (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propyl-spiro[4,5-dihydroisobenzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g]isobenzofuran]-1,1'-dione
IUPAC Name: (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione
SYSTEMATIC NAME: (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propyl-spiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione
MOLECULAR FORMULA: C24H28O4
MOLECULAR WEIGHT: 380.47672
SMILES: CCC/C=C\1/C2=C([C@@H]3[C@H](CC2)[C@@H]([C@@]34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1
Structure:
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