(4-pentylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Openeye Name: (4-pentylphenyl) 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoic acid (4-amylphenyl) ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CCC(CC3)C(C)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CCC(CC3)C(C)CCCCC

InChI

InChI=1S/C31H42O2/c1-4-6-8-10-24(3)26-14-16-27(17-15-26)28-18-20-29(21-19-28)31(32)33-30-22-12-25(13-23-30)11-9-7-5-2/h12-13,16,18-24,26H,4-11,14-15,17H2,1-3H3