[4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate

Systemtic Name: [4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate Openeye Name: [4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(4-amylcyclohexyl)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)CCCCC

Isomeric SMILES

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

InChI

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