[4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate

Systemtic Name: [4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate Openeye Name: [4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]phenyl] ester Formula: C31H44O2 MolecularWeight: 448.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44O2/c1-4-6-7-8-9-10-31(32)33-30-21-19-29(20-22-30)28-17-15-27(16-18-28)26-13-11-25(12-14-26)23-24(3)5-2/h15-22,24-26H,4-14,23H2,1-3H3