[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl] octanoate

Systemtic Name: [4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl] octanoate Openeye Name: [4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-(4-pentyl-1-cyclohexenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-amylcyclohexen-1-yl)phenyl]phenyl] ester Formula: C31H42O2 MolecularWeight: 446.66398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)CCCCC

InChI

InChI=1S/C31H42O2/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/h15,17-25H,3-14,16H2,1-2H3