[4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate

Systemtic Name: [4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate Openeye Name: [4-[4-(4-isopentylcyclohexyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-isoamylcyclohexyl)phenyl]phenyl] ester Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C

InChI

InChI=1S/C31H44O2/c1-4-5-6-7-8-9-31(32)33-30-22-20-29(21-23-30)28-18-16-27(17-19-28)26-14-12-25(13-15-26)11-10-24(2)3/h16-26H,4-15H2,1-3H3