[4-(4-heptylphenyl)phenyl] 4-pentylcyclohexene-1-carboxylate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 4-pentylcyclohexene-1-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 4-pentylcyclohexene-1-carboxylate CAS Name: 4-pentyl-1-cyclohexenecarboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 4-pentylcyclohexene-1-carboxylate Traditional Name: 4-amylcyclohexene-1-carboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CCC(CC3)CCCCC

InChI

InChI=1S/C31H42O2/c1-3-5-7-8-10-12-26-13-17-27(18-14-26)28-21-23-30(24-22-28)33-31(32)29-19-15-25(16-20-29)11-9-6-4-2/h13-14,17-19,21-25H,3-12,15-16,20H2,1-2H3