[4-(4-heptylcyclohexyl)phenyl] 4-pentan-2-ylbenzoate

Systemtic Name: [4-(4-heptylcyclohexyl)phenyl] 4-pentan-2-ylbenzoate Openeye Name: [4-(4-heptylcyclohexyl)phenyl] 4-(1-methylbutyl)benzoate CAS Name: 4-pentan-2-ylbenzoic acid [4-(4-heptylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-heptylcyclohexyl)phenyl] 4-pentan-2-ylbenzoate Traditional Name: 4-(1-methylbutyl)benzoic acid [4-(4-heptylcyclohexyl)phenyl] ester Formula: C31H44O2 MolecularWeight: 448.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)CCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)CCC

InChI

InChI=1S/C31H44O2/c1-4-6-7-8-9-11-25-12-14-27(15-13-25)28-20-22-30(23-21-28)33-31(32)29-18-16-26(17-19-29)24(3)10-5-2/h16-25,27H,4-15H2,1-3H3