(4-pentylphenyl) 4-(4-heptylcyclohexen-1-yl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(4-heptylcyclohexen-1-yl)benzoate Openeye Name: (4-pentylphenyl) 4-(4-heptylcyclohexen-1-yl)benzoate CAS Name: 4-(4-heptyl-1-cyclohexenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(4-heptylcyclohexen-1-yl)benzoate Traditional Name: 4-(4-heptylcyclohexen-1-yl)benzoic acid (4-amylphenyl) ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C31H42O2/c1-3-5-7-8-10-12-25-13-17-27(18-14-25)28-19-21-29(22-20-28)31(32)33-30-23-15-26(16-24-30)11-9-6-4-2/h15-17,19-25H,3-14,18H2,1-2H3