(4-octylphenyl) 4-(4-butylcyclohexen-1-yl)benzoate

Systemtic Name: (4-octylphenyl) 4-(4-butylcyclohexen-1-yl)benzoate Openeye Name: (4-octylphenyl) 4-(4-butylcyclohexen-1-yl)benzoate CAS Name: 4-(4-butyl-1-cyclohexenyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(4-butylcyclohexen-1-yl)benzoate Traditional Name: 4-(4-butylcyclohexen-1-yl)benzoic acid (4-octylphenyl) ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CCC(CC3)CCCC

InChI

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