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

Systemtic Name: phenyl 4-(4-hexylcyclohexen-1-yl)octanoate Openeye Name: phenyl 4-(4-hexylcyclohexen-1-yl)octanoate CAS Name: 4-(4-hexyl-1-cyclohexenyl)octanoic acid phenyl ester IUPAC Name: phenyl 4-(4-hexylcyclohexen-1-yl)octanoate Traditional Name: 4-(4-hexylcyclohexen-1-yl)caprylic acid phenyl ester Formula: C26H40O2 MolecularWeight: 384.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C26H40O2/c1-3-5-7-9-12-22-16-18-24(19-17-22)23(13-6-4-2)20-21-26(27)28-25-14-10-8-11-15-25/h8,10-11,14-15,18,22-23H,3-7,9,12-13,16-17,19-21H2,1-2H3