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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C(=C(C)C(=C)C2=C(CCCC2(C)C)C)F

Isomeric SMILES

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

InChI

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