[4-[4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate

Systemtic Name: [4-[4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Openeye Name: [4-[4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-(4-pentylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-amylcyclohexyl)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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H44O2/c1-3-5-7-8-10-12-31(32)33-30-23-21-29(22-24-30)28-19-17-27(18-20-28)26-15-13-25(14-16-26)11-9-6-4-2/h17-26H,3-16H2,1-2H3