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

Systemtic Name: [4-(4-pentylcyclohexyl)phenyl] 4-butylbenzoate Openeye Name: [4-(4-pentylcyclohexyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(4-amylcyclohexyl)phenyl] ester Formula: C28H38O2 MolecularWeight: 406.60012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C28H38O2/c1-3-5-7-9-23-10-14-24(15-11-23)25-18-20-27(21-19-25)30-28(29)26-16-12-22(13-17-26)8-6-4-2/h12-13,16-21,23-24H,3-11,14-15H2,1-2H3