phenyl 4-(4-heptylcyclohexen-1-yl)octanoate

Systemtic Name: phenyl 4-(4-heptylcyclohexen-1-yl)octanoate Openeye Name: phenyl 4-(4-heptylcyclohexen-1-yl)octanoate CAS Name: 4-(4-heptyl-1-cyclohexenyl)octanoic acid phenyl ester IUPAC Name: phenyl 4-(4-heptylcyclohexen-1-yl)octanoate Traditional Name: 4-(4-heptylcyclohexen-1-yl)caprylic acid phenyl ester Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C27H42O2/c1-3-5-7-8-10-13-23-17-19-25(20-18-23)24(14-6-4-2)21-22-27(28)29-26-15-11-9-12-16-26/h9,11-12,15-16,19,23-24H,3-8,10,13-14,17-18,20-22H2,1-2H3