propan-2-yl 3-ethyl-4-[(1Z)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate

Systemtic Name: propan-2-yl 3-ethyl-4-[(1Z)-1-fluoranyl-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Openeye Name: isopropyl 3-ethyl-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate CAS Name: 3-ethyl-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate Traditional Name: 3-ethyl-4-[(1Z)-1-fluoro-2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoic acid isopropyl ester Formula: C26H35FO2 MolecularWeight: 398.553303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)OC(C)C)C(=C(C)C(=C)C2=C(CCCC2(C)C)C)F

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)OC(C)C)/C(=C(\C)/C(=C)C2=C(CCCC2(C)C)C)/F

InChI

InChI=1S/C26H35FO2/c1-9-20-15-21(25(28)29-16(2)3)12-13-22(20)24(27)19(6)18(5)23-17(4)11-10-14-26(23,7)8/h12-13,15-16H,5,9-11,14H2,1-4,6-8H3/b24-19-