[4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate

Systemtic Name: [4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Openeye Name: [4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-amylcyclohexyl)-2-methyl-phenyl]phenyl] ester Formula: C32H46O2 MolecularWeight: 462.70644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46O2/c1-4-6-8-9-11-13-32(33)34-30-21-18-28(19-22-30)31-23-20-29(24-25(31)3)27-16-14-26(15-17-27)12-10-7-5-2/h18-24,26-27H,4-17H2,1-3H3