CAS RN: 83802-77-1
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl fluoride
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl fluoride
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl fluoride
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl fluoride
MOLECULAR FORMULA: C20H27FO
MOLECULAR WEIGHT: 302.426183
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)F)\C)/C
Structure:
CAS RN: 83800-17-3
CAS Name: (Z)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)-2-propenoic acid
OPENEYE Name: (Z)-2-acetoxy-3-(3,4-diacetoxyphenyl)prop-2-enoic acid
IUPAC Name: (Z)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C15H14O8
MOLECULAR WEIGHT: 322.26686
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C(/C(=O)O)\OC(=O)C)OC(=O)C
Structure:
CAS RN: 83711-68-6
CAS Name: (8E,10E)-12-oxoheptadeca-8,10-dienoic acid
OPENEYE Name: (8E,10E)-12-oxoheptadeca-8,10-dienoic acid
IUPAC Name: (8E,10E)-12-oxoheptadeca-8,10-dienoic acid
SYSTEMATIC NAME: (8E,10E)-12-oxidanylideneheptadeca-8,10-dienoic acid
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCCCCC(=O)/C=C/C=C/CCCCCCC(=O)O
Structure:
CAS RN: 83700-86-1
CAS Name: (E)-9-hydroperoxy-11-(3-pentyl-2-oxiranyl)-10-undecenoic acid methyl ester
OPENEYE Name: methyl (E)-9-hydroperoxy-11-(3-pentyloxiran-2-yl)undec-10-enoate
IUPAC Name: methyl (E)-9-hydroperoxy-11-(3-pentyloxiran-2-yl)undec-10-enoate
SYSTEMATIC NAME: methyl (E)-9-(dioxidanyl)-11-(3-pentyloxiran-2-yl)undec-10-enoate
MOLECULAR FORMULA: C19H34O5
MOLECULAR WEIGHT: 342.47026
SMILES: CCCCCC1C(O1)/C=C/C(CCCCCCCC(=O)OC)OO
Structure:
CAS RN: 83700-65-6
CAS Name: (Z)-N-[2-(methylthio)ethyl]-9-octadecenamide
OPENEYE Name: (Z)-N-(2-methylsulfanylethyl)octadec-9-enamide
IUPAC Name: (Z)-N-(2-methylsulfanylethyl)octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-(2-methylsulfanylethyl)octadec-9-enamide
MOLECULAR FORMULA: C21H41NOS
MOLECULAR WEIGHT: 355.62134
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCSC
Structure:
CAS RN: 83656-28-4
CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydroxy-4-methoxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,4R)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2R,3R)-2-[(E,3R,4R)-4-methoxy-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C22H38O6
MOLECULAR WEIGHT: 398.53352
SMILES: CCCC[C@](C)([C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)OC
Structure:
CAS RN: 83652-16-8
CAS Name: 4-hydroxy-6-[(1E,5E,9E,13E,15Z)-4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyltricosa-1,5,9,13,15-pentaenyl]-2-oxanone
OPENEYE Name: 4-hydroxy-6-[(1E,5E,9E,13E,15Z)-4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-tricosa-1,5,9,13,15-pentaenyl]tetrahydropyran-2-one
IUPAC Name: 4-hydroxy-6-[(1E,5E,9E,13E,15Z)-4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyltricosa-1,5,9,13,15-pentaenyl]oxan-2-one
SYSTEMATIC NAME: 6-[(1E,5E,9E,13E,15Z)-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-4,8,12-tris(oxidanyl)tricosa-1,5,9,13,15-pentaenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C34H56O7
MOLECULAR WEIGHT: 576.80424
SMILES: CCC(C)CC(C)CC(C)/C=C(\CO)/C=C(\C)/C(C(C)/C=C/C(C/C=C/C(C/C=C/C1CC(CC(=O)O1)O)O)O)O
Structure:
CAS RN: 83652-15-7
CAS Name: (6E,10E,14E,18E,20Z)-3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyloctacosa-6,10,14,18,20-pentaenoic acid
OPENEYE Name: (6E,10E,14E,18E,20Z)-3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyl-octacosa-6,10,14,18,20-pentaenoic acid
IUPAC Name: (6E,10E,14E,18E,20Z)-3,5,9,13,17-pentahydroxy-20-(hydroxymethyl)-16,18,22,24,26-pentamethyloctacosa-6,10,14,18,20-pentaenoic acid
SYSTEMATIC NAME: (6E,10E,14E,18E,20Z)-20-(hydroxymethyl)-16,18,22,24,26-pentamethyl-3,5,9,13,17-pentakis(oxidanyl)octacosa-6,10,14,18,20-pentaenoic acid
MOLECULAR FORMULA: C34H58O8
MOLECULAR WEIGHT: 594.81952
SMILES: CCC(C)CC(C)CC(C)/C=C(\CO)/C=C(\C)/C(C(C)/C=C/C(C/C=C/C(C/C=C/C(CC(CC(=O)O)O)O)O)O)O
Structure:
CAS RN: 83532-37-0
CAS Name: 3-[(Z)-pentadec-10-enyl]benzene-1,2-diol
OPENEYE Name: 3-[(Z)-pentadec-10-enyl]benzene-1,2-diol
IUPAC Name: 3-[(Z)-pentadec-10-enyl]benzene-1,2-diol
SYSTEMATIC NAME: 3-[(Z)-pentadec-10-enyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H34O2
MOLECULAR WEIGHT: 318.49346
SMILES: CCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)O
Structure:
CAS RN: 29044-58-4
CAS Name: (2E,6E)-7-ethyl-3-methyl-9-(3-propyl-2-oxiranyl)nona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-7-ethyl-3-methyl-9-(3-propyloxiran-2-yl)nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-7-ethyl-3-methyl-9-(3-propyloxiran-2-yl)nona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-7-ethyl-3-methyl-9-(3-propyloxiran-2-yl)nona-2,6-dienoate
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCC1C(O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/CC
Structure:
CAS RN: 70544-96-6
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 302.427662
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/[14C](=O)O)\C)/C
Structure:
CAS RN: 70359-69-2
CAS Name: 2-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenylidene]cyclopentane-1,3-dione
OPENEYE Name: 2-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]cyclopentane-1,3-dione
IUPAC Name: 2-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]cyclopentane-1,3-dione
SYSTEMATIC NAME: 2-[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]cyclopentane-1,3-dione
MOLECULAR FORMULA: C25H32O2
MOLECULAR WEIGHT: 364.52038
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/C=C2C(=O)CCC2=O)\C)\C
Structure:
CAS RN: 69427-41-4
CAS Name: (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C23H30O3
MOLECULAR WEIGHT: 354.4825
SMILES: CCOC(=O)/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=C(C=C1C)OC)C)C
Structure:
CAS RN: 64812-17-5
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxy-1-oxoheptyl]amino]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxyheptanoyl]amino]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxyheptanoyl]amino]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[[(2R)-2-oxidanylheptanoyl]amino]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C19H33NO6
MOLECULAR WEIGHT: 371.46842
SMILES: CCCCC[C@H](C(=O)N[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 64812-14-2
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxy-1-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]amino]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[[(2R)-2-oxidanyl-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H28F3NO7
MOLECULAR WEIGHT: 475.45543
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)NC(=O)[C@@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 64812-13-1
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-1-oxopropyl]amino]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propanoyl]amino]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropanoyl]amino]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propanoyl]amino]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H33NO7
MOLECULAR WEIGHT: 435.51062
SMILES: CC1=C(C=C(C=C1)OC[C@H](C(=O)N[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O)C
Structure:
CAS RN: 64812-12-0
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxy-1-oxopropyl]amino]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propanoyl]amino]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropanoyl]amino]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[[(2R)-3-(4-fluoranylphenoxy)-2-oxidanyl-propanoyl]amino]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H28FNO7
MOLECULAR WEIGHT: 425.447923
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)NC(=O)[C@@H](COC2=CC=C(C=C2)F)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 64768-63-4
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-1-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]amino]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[[(2S)-2-oxidanyl-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H28F3NO7
MOLECULAR WEIGHT: 475.45543
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)NC(=O)[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 64768-65-6
CAS Name: (Z)-7-[(1R,2S)-2-[[(2S)-2-hydroxy-1-oxoheptyl]amino]-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S)-2-[[(2S)-2-hydroxyheptanoyl]amino]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S)-2-[[(2S)-2-hydroxyheptanoyl]amino]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S)-2-[[(2S)-2-oxidanylheptanoyl]amino]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C19H29NO5
MOLECULAR WEIGHT: 351.43726
SMILES: CCCCC[C@@H](C(=O)N[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 83378-41-0
CAS Name: [(2R,3S,5R)-5-[5-[(Z)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-[5-[(Z)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-[5-[(Z)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-[(Z)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C11H14BrN2O8P
MOLECULAR WEIGHT: 413.115221
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C\Br)COP(=O)(O)O)O
Structure:
CAS RN: 83375-11-5
CAS Name: (E,2R)-2-[[(3S)-2-acetyl-3-[3-[[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]butyl]-4-hydroxy-4-thiazetidinyl]amino]-5-amino-5-oxo-3-pentenoic acid
OPENEYE Name: (E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutyl]-4-hydroxy-thiazetidin-4-yl]amino]-5-amino-5-oxo-pent-3-enoic acid
IUPAC Name: (E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid
SYSTEMATIC NAME: (E,2R)-5-azanyl-2-[[(3S)-3-[3-[(2R,3S,4R,5R,6S)-5-azanyl-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxybutyl]-2-ethanoyl-4-oxidanyl-1,2-thiazetidin-4-yl]amino]-5-oxidanylidene-pent-3-enoic acid
MOLECULAR FORMULA: C19H32N4O10S
MOLECULAR WEIGHT: 508.54318
SMILES: CC(CC[C@H]1C(SN1C(=O)C)(N[C@H](/C=C/C(=O)N)C(=O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)O)N
Structure:
CAS RN: 83374-72-5
CAS Name: (2Z,4Z,6Z,8Z)-9-[3-(3H-diazirin-3-yl)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4Z,6Z,8Z)-9-[3-(3H-diazirin-3-yl)phenyl]-3,7-dimethyl-nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4Z,6Z,8Z)-9-[3-(3H-diazirin-3-yl)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-9-[3-(3H-1,2-diazirin-3-yl)phenyl]-3,7-dimethyl-nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: C/C(=C/C=O)/C=C\C=C(\C)/C=C\C1=CC(=CC=C1)C2N=N2
Structure:
CAS RN: 83353-84-8
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-4-heptanone
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-oxidanyl-heptan-4-one
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 83339-80-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H30N2O6
MOLECULAR WEIGHT: 454.5155
SMILES: COC(=O)/C=C/C(=O)N[C@H]1CCC2(C3CC4=C5C2([C@@H]1OC5=C(C=C4)O)CCN3CC6CC6)O
Structure:
CAS RN: 83324-48-5
CAS Name: 5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
OPENEYE Name: 5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
IUPAC Name: 5-chloro-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
SYSTEMATIC NAME: 3-chloranyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C18H23ClO3
MOLECULAR WEIGHT: 322.82642
SMILES: CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O
Structure:
CAS RN: 83213-62-1
CAS Name: 4-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acid
OPENEYE Name: 4-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acid
IUPAC Name: 4-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acid
SYSTEMATIC NAME: 4-[2-[(1E,3E,5E,8E)-tetradeca-1,3,5,8-tetraenyl]cyclopropyl]butanoic acid
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CCCCC/C=C/C/C=C/C=C/C=C/C1CC1CCCC(=O)O
Structure:
CAS RN: 83197-87-9
CAS Name: (E)-2-butenedioic acid; 1-[(4-chlorophenyl)thio]-N-methyl-2-propanamine
OPENEYE Name: 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine
MOLECULAR FORMULA: C14H18ClNO4S
MOLECULAR WEIGHT: 331.81502
SMILES: CC(CSC1=CC=C(C=C1)Cl)NC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 83151-26-2
CAS Name: (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6E)-6-acetonylidene-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6E)-3,3-dimethyl-7-oxidanylidene-6-(2-oxidanylidenepropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C11H13NO4S
MOLECULAR WEIGHT: 255.29022
SMILES: CC(=O)/C=C\1/[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
Structure:
CAS RN: 83104-76-1
CAS Name: N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide
OPENEYE Name: N-[(E)-2-(3,4-dihydroxyphenyl)vinyl]acetamide
IUPAC Name: N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide
SYSTEMATIC NAME: N-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]ethanamide
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(=O)N/C=C/C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 83058-69-9
CAS Name: 6-[[(1R,2S,3R)-3-hydroxy-2-[(E,5R)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]thio]hexanoic acid methyl ester
OPENEYE Name: methyl 6-[(1R,2S,3R)-3-hydroxy-2-[(E,5R)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]sulfanylhexanoate
IUPAC Name: methyl 6-[(1R,2S,3R)-3-hydroxy-2-[(E,5R)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]sulfanylhexanoate
SYSTEMATIC NAME: methyl 6-[(1R,2S,3R)-2-[(E,5R)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylhexanoate
MOLECULAR FORMULA: C22H38O5S
MOLECULAR WEIGHT: 414.59912
SMILES: CCCC[C@@H](C)CC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1SCCCCCC(=O)OC)O)O
Structure:
CAS RN: 83053-30-9
CAS Name: (1Z,3E,7E)-1-diazonio-4,8,12-trimethyl-2-trideca-1,3,7,11-tetraenolate
OPENEYE Name: (1Z,3E,7E)-1-diazonio-4,8,12-trimethyl-trideca-1,3,7,11-tetraen-2-olate
IUPAC Name: (1Z,3E,7E)-1-diazonio-4,8,12-trimethyltrideca-1,3,7,11-tetraen-2-olate
SYSTEMATIC NAME: (1Z,3E,7E)-1-diazonio-4,8,12-trimethyl-trideca-1,3,7,11-tetraen-2-olate
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CC(=CCC/C(=C/CC/C(=C/C(=C/[N+]#N)/[O-])/C)/C)C
Structure:
CAS RN: 83024-92-4
CAS Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxy-N,N-dimethyleicosa-6,8,10,14-tetraenamide
OPENEYE Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxy-N,N-dimethyl-icosa-6,8,10,14-tetraenamide
IUPAC Name: (5R,6E,8Z,10E,12S,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
SYSTEMATIC NAME: (5R,6E,8Z,10E,12S,14Z)-N,N-dimethyl-5,12-bis(oxidanyl)icosa-6,8,10,14-tetraenamide
MOLECULAR FORMULA: C22H37NO3
MOLECULAR WEIGHT: 363.53408
SMILES: CCCCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@@H](CCCC(=O)N(C)C)O)O
Structure:
CAS RN: 83010-28-0
CAS Name: 3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylthio]propanoic acid
OPENEYE Name: 3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propylsulfanyl]propanoic acid
IUPAC Name: 3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylsulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]propylsulfanyl]propanoic acid
MOLECULAR FORMULA: C19H32O5S
MOLECULAR WEIGHT: 372.51938
SMILES: CCCCCC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCSCCC(=O)O)O)O
Structure:
CAS RN: 83009-96-5
CAS Name: 6-[[(1R,2S,3R)-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentyl]thio]hexanoic acid methyl ester
OPENEYE Name: methyl 6-[(1R,2S,3R)-2-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]sulfanylhexanoate
IUPAC Name: methyl 6-[(1R,2S,3R)-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylhexanoate
SYSTEMATIC NAME: methyl 6-[(1R,2S,3R)-2-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylhexanoate
MOLECULAR FORMULA: C21H34O5S
MOLECULAR WEIGHT: 398.55666
SMILES: COC(=O)CCCCCS[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/C(C2CCCCC2)O
Structure:
CAS RN: 82970-82-9
CAS Name: 4-[[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxo-hex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxycarbonylamino]benzoic acid
IUPAC Name: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid
SYSTEMATIC NAME: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid
MOLECULAR FORMULA: C27H29NO9
MOLECULAR WEIGHT: 511.52046
SMILES: CCOC(=O)CC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)OC(=O)NC3=CC=C(C=C3)C(=O)O)/C
Structure:
CAS RN: 82850-10-0
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxo-propyl]sulfonyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfonyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C25H40N2O8S
MOLECULAR WEIGHT: 528.6587
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)S(=O)(=O)C[C@@H](C(=O)NCC(=O)O)N
Structure:
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