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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CC(C)CC

InChI

InChI=1S/C31H44O2/c1-4-6-7-8-9-10-25-11-17-29(18-12-25)31(32)33-30-21-19-28(20-22-30)27-15-13-26(14-16-27)23-24(3)5-2/h11-12,17-22,24,26-27H,4-10,13-16,23H2,1-3H3