[4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] hexanoate

Systemtic Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] hexanoate Openeye Name: [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] hexanoate CAS Name: hexanoic acid [4-[4-(4-heptan-2-yl-1-cyclohexenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] ester Formula: C31H42O2 MolecularWeight: 446.66398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCC

InChI

InChI=1S/C31H42O2/c1-4-6-8-10-24(3)25-12-14-26(15-13-25)27-16-18-28(19-17-27)29-20-22-30(23-21-29)33-31(32)11-9-7-5-2/h14,16-25H,4-13,15H2,1-3H3