CAS RN: 86879-33-6
CAS Name: 5-[[[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)carbamothioylamino]-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid
IUPAC Name: 5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)carbamothioylamino]-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C24H29N4O9S3
MOLECULAR WEIGHT: 613.70346
SMILES: CC1(CC(CC(N1[O])(C)C)NC(=S)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C
Structure:
CAS RN: 86852-07-5
CAS Name: (2E,4R)-2-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-1-cyclohexanone
OPENEYE Name: (2E,4R)-2-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-cyclohexanone
IUPAC Name: (2E,4R)-2-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
SYSTEMATIC NAME: (2E,4R)-2-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@@H](CCC3=O)O)C
Structure:
CAS RN: 86798-57-4
CAS Name: (E)-3-(2,4-dioxo-1-pyrimidinyl)-2-propenal
OPENEYE Name: (E)-3-(2,4-dioxopyrimidin-1-yl)prop-2-enal
IUPAC Name: (E)-3-(2,4-dioxopyrimidin-1-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]prop-2-enal
MOLECULAR FORMULA: C7H6N2O3
MOLECULAR WEIGHT: 166.13414
SMILES: C1=CN(C(=O)NC1=O)/C=C/C=O
Structure:
CAS RN: 86797-91-3
CAS Name: 3-[(E)-[(5Z)-3-methoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
OPENEYE Name: 3-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
IUPAC Name: 3-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
SYSTEMATIC NAME: 3-[(E)-[(5Z)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
MOLECULAR FORMULA: C20H23N3O
MOLECULAR WEIGHT: 321.41612
SMILES: CC1CCCC2=C(NC(=C12)/C=C/3\C(=C/C(=C/4\C=CC=N4)/N3)OC)C
Structure:
CAS RN: 86780-43-0
CAS Name: 1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]-2-pyrrolidinone
OPENEYE Name: 1-[2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one
IUPAC Name: 1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: C1CC(=O)N(C1)CC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3
Structure:
CAS RN: 86701-33-9
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S)-3,5-dihydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R,4S)-6-methyl-4,6-bis(oxidanyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](C[C@@H](CC(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
CAS RN: 86699-75-4
CAS Name: (4Z,8Z,12Z,16Z)-N,N-diethyl-4,8,13,17,21-pentamethyl-1-docosa-4,8,12,16,20-pentaenamine
OPENEYE Name: (4Z,8Z,12Z,16Z)-N,N-diethyl-4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaen-1-amine
IUPAC Name: (4Z,8Z,12Z,16Z)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine
SYSTEMATIC NAME: (4Z,8Z,12Z,16Z)-N,N-diethyl-4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaen-1-amine
MOLECULAR FORMULA: C31H55N
MOLECULAR WEIGHT: 441.7751
SMILES: CCN(CC)CCC/C(=C\CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)/C)/C
Structure:
CAS RN: 86699-73-2
CAS Name: (4Z,8Z,12Z,16Z)-N,N,4,8,13,17,21-heptamethyl-1-docosa-4,8,12,16,20-pentaenamine
OPENEYE Name: (4Z,8Z,12Z,16Z)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine
IUPAC Name: (4Z,8Z,12Z,16Z)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine
SYSTEMATIC NAME: (4Z,8Z,12Z,16Z)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine
MOLECULAR FORMULA: C29H51N
MOLECULAR WEIGHT: 413.72194
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCCN(C)C)/C)/C)C
Structure:
CAS RN: 86677-62-5
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-fluoro-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H43FO3
MOLECULAR WEIGHT: 434.626923
SMILES: C[C@H](CC[C@H](C(C)(C)O)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
CAS RN: 25001-79-0
CAS Name: (E)-11-chloro-3,7,11-trimethyl-2-dodecenoic acid ethyl ester
OPENEYE Name: ethyl (E)-11-chloro-3,7,11-trimethyl-dodec-2-enoate
IUPAC Name: ethyl (E)-11-chloro-3,7,11-trimethyldodec-2-enoate
SYSTEMATIC NAME: ethyl (E)-11-chloranyl-3,7,11-trimethyl-dodec-2-enoate
MOLECULAR FORMULA: C17H31ClO2
MOLECULAR WEIGHT: 302.87984
SMILES: CCOC(=O)/C=C(\C)/CCCC(C)CCCC(C)(C)Cl
Structure:
CAS RN: 75036-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H33O4-
MOLECULAR WEIGHT: 325.46292
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC.O[O-]
Structure:
CAS RN: 74020-12-5
CAS Name: 4-[(Z)-2-(1,6-dimethyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]morpholine iodide
OPENEYE Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]morpholine iodide
IUPAC Name: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine iodide
SYSTEMATIC NAME: 4-[(Z)-2-(1,6-dimethylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide
MOLECULAR FORMULA: C18H23IN2OS
MOLECULAR WEIGHT: 442.35749
SMILES: CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C(/N3CCOCC3)\SC)C.[I-]
Structure:
CAS RN: 74193-12-7
CAS Name: 2-[(1Z,3Z,5Z,7Z)-3,7-dimethyl-9-(methylthio)nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
OPENEYE Name: 2-[(1Z,3Z,5Z,7Z)-3,7-dimethyl-9-methylsulfanyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
IUPAC Name: 2-[(1Z,3Z,5Z,7Z)-3,7-dimethyl-9-methylsulfanylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 2-[(1Z,3Z,5Z,7Z)-3,7-dimethyl-9-methylsulfanyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
MOLECULAR FORMULA: C21H32S
MOLECULAR WEIGHT: 316.54378
SMILES: CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/CSC)\C)\C
Structure:
CAS RN: 74166-70-4
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-methylenecyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-methylene-cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-methylidene-3-oxidanyl-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H38O4
MOLECULAR WEIGHT: 378.54542
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=C)[C@@H]1C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 74107-08-7
CAS Name: 2-[(E)-2-chloroethenyl]-2-ethynyl-3-methyloxirane
OPENEYE Name: 2-[(E)-2-chlorovinyl]-2-ethynyl-3-methyl-oxirane
IUPAC Name: 2-[(E)-2-chloroethenyl]-2-ethynyl-3-methyloxirane
SYSTEMATIC NAME: 2-[(E)-2-chloranylethenyl]-2-ethynyl-3-methyl-oxirane
MOLECULAR FORMULA: C7H7ClO
MOLECULAR WEIGHT: 142.58288
SMILES: CC1C(O1)(/C=C/Cl)C#C
Structure:
CAS RN: 74107-07-6
CAS Name: (E)-5-chloro-3-ethynyl-4-pentene-2,3-diol
OPENEYE Name: (E)-5-chloro-3-ethynyl-pent-4-ene-2,3-diol
IUPAC Name: (E)-5-chloro-3-ethynylpent-4-ene-2,3-diol
SYSTEMATIC NAME: (E)-5-chloranyl-3-ethynyl-pent-4-ene-2,3-diol
MOLECULAR FORMULA: C7H9ClO2
MOLECULAR WEIGHT: 160.59816
SMILES: CC(C(/C=C/Cl)(C#C)O)O
Structure:
CAS RN: 73545-95-6
CAS Name: acetic acid [(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-ynyl] ester
OPENEYE Name: [(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-ynyl] acetate
IUPAC Name: [(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-ynyl] acetate
SYSTEMATIC NAME: [(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-ynyl] ethanoate
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: C/C=C/C=C/C#C/C=C/C=C/CCCCCOC(=O)C
Structure:
CAS RN: 72719-89-2
CAS Name: (1E,5E)-8-bromo-1,3,4,7-tetrachloro-3,7-dimethylocta-1,5-diene
OPENEYE Name: (1E,5E)-8-bromo-1,3,4,7-tetrachloro-3,7-dimethyl-octa-1,5-diene
IUPAC Name: (1E,5E)-8-bromo-1,3,4,7-tetrachloro-3,7-dimethylocta-1,5-diene
SYSTEMATIC NAME: (1E,5E)-8-bromanyl-1,3,4,7-tetrakis(chloranyl)-3,7-dimethyl-octa-1,5-diene
MOLECULAR FORMULA: C10H13BrCl4
MOLECULAR WEIGHT: 354.92622
SMILES: CC(CBr)(/C=C/C(C(C)(/C=C/Cl)Cl)Cl)Cl
Structure:
CAS RN: 72719-88-1
CAS Name: (4Z)-7-bromo-4,6,8-trichloro-2,6-dimethyl-3-octa-1,4-dienone
OPENEYE Name: (4Z)-7-bromo-4,6,8-trichloro-2,6-dimethyl-octa-1,4-dien-3-one
IUPAC Name: (4Z)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
SYSTEMATIC NAME: (4Z)-7-bromanyl-4,6,8-tris(chloranyl)-2,6-dimethyl-octa-1,4-dien-3-one
MOLECULAR FORMULA: C10H12BrCl3O
MOLECULAR WEIGHT: 334.46468
SMILES: CC(=C)C(=O)/C(=C/C(C)(C(CCl)Br)Cl)/Cl
Structure:
CAS RN: 72079-76-6
CAS Name: 4-nitro-5-[(E)-2-phenylethenyl]-1-(phenylmethyl)imidazole
OPENEYE Name: 1-benzyl-4-nitro-5-[(E)-styryl]imidazole
IUPAC Name: 1-benzyl-4-nitro-5-[(E)-2-phenylethenyl]imidazole
SYSTEMATIC NAME: 4-nitro-5-[(E)-2-phenylethenyl]-1-(phenylmethyl)imidazole
MOLECULAR FORMULA: C18H15N3O2
MOLECULAR WEIGHT: 305.3306
SMILES: C1=CC=C(C=C1)CN2C=NC(=C2/C=C/C3=CC=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 71538-94-8
CAS Name: (E)-9-hydroxy-11-(3-pentyl-2-oxiranyl)-10-undecenoic acid methyl ester
OPENEYE Name: methyl (E)-9-hydroxy-11-(3-pentyloxiran-2-yl)undec-10-enoate
IUPAC Name: methyl (E)-9-hydroxy-11-(3-pentyloxiran-2-yl)undec-10-enoate
SYSTEMATIC NAME: methyl (E)-9-oxidanyl-11-(3-pentyloxiran-2-yl)undec-10-enoate
MOLECULAR FORMULA: C19H34O4
MOLECULAR WEIGHT: 326.47086
SMILES: CCCCCC1C(O1)/C=C/C(CCCCCCCC(=O)OC)O
Structure:
CAS RN: 70981-96-3
CAS Name: (5E,8Z,11Z,13Z,15S)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
OPENEYE Name: (5E,8Z,11Z,13Z,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
IUPAC Name: (5E,8Z,11Z,13Z,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
SYSTEMATIC NAME: (5E,8Z,11Z,13Z,15S)-15-(dioxidanyl)icosa-5,8,11,13-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC[C@@H](/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O)OO
Structure:
CAS RN: 88199-84-2
CAS Name: (E)-9-oxo-11-[(2R,3S)-3-pentyl-2-oxiranyl]-10-undecenoic acid methyl ester
OPENEYE Name: methyl (E)-9-oxo-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-10-enoate
IUPAC Name: methyl (E)-9-oxo-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-10-enoate
SYSTEMATIC NAME: methyl (E)-9-oxidanylidene-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-10-enoate
MOLECULAR FORMULA: C19H32O4
MOLECULAR WEIGHT: 324.45498
SMILES: CCCCC[C@H]1[C@H](O1)/C=C/C(=O)CCCCCCCC(=O)OC
Structure:
CAS RN: 69161-73-5
CAS Name: (E)-9-octadecenoic acid [3-chloro-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-chloro-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-chloro-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [3-chloranyl-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C39H71ClO4
MOLECULAR WEIGHT: 639.43164
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 69113-98-0
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
Structure:
CAS RN: 119454-82-9
CAS Name: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)vinyl]benzoic acid
IUPAC Name: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
MOLECULAR FORMULA: C23H26O2
MOLECULAR WEIGHT: 334.45134
SMILES: CC1(CCC(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)(C)C)C
Structure:
CAS RN: 116627-73-7
CAS Name: 6-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylate
IUPAC Name: ethyl 6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCOC(=O)C1=CN=C(C=C1)C#C/C=C/C2=C(CCCC2(C)C)C
Structure:
CAS RN: 115503-91-8
CAS Name: 3-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid
OPENEYE Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
IUPAC Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
SYSTEMATIC NAME: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
MOLECULAR FORMULA: C20H22O2
MOLECULAR WEIGHT: 294.38748
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC(=CC=C2)C(=O)O
Structure:
CAS RN: 112642-02-1
CAS Name: 2-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 2-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
IUPAC Name: 2-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 2-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C24H28O2
MOLECULAR WEIGHT: 348.47792
SMILES: C/C(=C\C1=CC=CC=C1C(=O)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
Structure:
CAS RN: 101506-72-3
CAS Name: 4-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4-isopropylphenyl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C19H20O2
MOLECULAR WEIGHT: 280.3609
SMILES: CC(C)C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)C(=O)O)/C
Structure:
CAS RN: 102855-13-0
CAS Name: (2Z,4Z,6Z,8Z)-9-(2-chloro-4-methoxy-3,6-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2Z,4Z,6Z,8Z)-9-(2-chloro-4-methoxy-3,6-dimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2Z,4Z,6Z,8Z)-9-(2-chloro-4-methoxy-3,6-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2Z,4Z,6Z,8Z)-9-(2-chloranyl-4-methoxy-3,6-dimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H27ClO3
MOLECULAR WEIGHT: 374.90098
SMILES: CCOC(=O)/C=C(/C)\C=C/C=C(/C)\C=C/C1=C(C(=C(C=C1C)OC)C)Cl
Structure:
CAS RN: 96409-35-7
CAS Name: 2-methyl-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 2-methyl-4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
IUPAC Name: 2-methyl-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 2-methyl-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C25H30O2
MOLECULAR WEIGHT: 362.5045
SMILES: CC1=C(C=CC(=C1)/C=C(\C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C)C(=O)O
Structure:
CAS RN: 90103-48-3
CAS Name: 4-[(E)-2-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4,4,7,7-tetramethyl-5,6-dihydrobenzothiophen-2-yl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C22H26O2S
MOLECULAR WEIGHT: 354.50564
SMILES: C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(S2)C(CCC3(C)C)(C)C
Structure:
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