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

Systemtic Name: (4-ethylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Openeye Name: (4-ethylphenyl) 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoic acid (4-ethylphenyl) ester Formula: C28H36O2 MolecularWeight: 404.58424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC

InChI

InChI=1S/C28H36O2/c1-4-6-7-8-21(3)23-11-13-24(14-12-23)25-15-17-26(18-16-25)28(29)30-27-19-9-22(5-2)10-20-27/h9-10,13,15-21,23H,4-8,11-12,14H2,1-3H3