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

Systemtic Name: (4-methylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Openeye Name: p-tolyl 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(4-heptan-2-ylcyclohexen-1-yl)benzoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]benzoic acid p-tolyl ester Formula: C27H34O2 MolecularWeight: 390.55766

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34O2/c1-4-5-6-7-21(3)22-10-12-23(13-11-22)24-14-16-25(17-15-24)27(28)29-26-18-8-20(2)9-19-26/h8-9,12,14-19,21-22H,4-7,10-11,13H2,1-3H3