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

Systemtic Name: phenyl 4-(4-octylcyclohexen-1-yl)octanoate Openeye Name: phenyl 4-(4-octylcyclohexen-1-yl)octanoate CAS Name: 4-(4-octyl-1-cyclohexenyl)octanoic acid phenyl ester IUPAC Name: phenyl 4-(4-octylcyclohexen-1-yl)octanoate Traditional Name: 4-(4-octylcyclohexen-1-yl)caprylic acid phenyl ester Formula: C28H44O2 MolecularWeight: 412.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C28H44O2/c1-3-5-7-8-9-11-14-24-18-20-26(21-19-24)25(15-6-4-2)22-23-28(29)30-27-16-12-10-13-17-27/h10,12-13,16-17,20,24-25H,3-9,11,14-15,18-19,21-23H2,1-2H3