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

Systemtic Name: (4-methylcyclohexyl) 4-(4-heptylcyclohexen-1-yl)benzoate Openeye Name: (4-methylcyclohexyl) 4-(4-heptylcyclohexen-1-yl)benzoate CAS Name: 4-(4-heptyl-1-cyclohexenyl)benzoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 4-(4-heptylcyclohexen-1-yl)benzoate Traditional Name: 4-(4-heptylcyclohexen-1-yl)benzoic acid (4-methylcyclohexyl) ester Formula: C27H40O2 MolecularWeight: 396.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C

Isomeric SMILES

CCCCCCCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C

InChI

InChI=1S/C27H40O2/c1-3-4-5-6-7-8-22-11-13-23(14-12-22)24-15-17-25(18-16-24)27(28)29-26-19-9-21(2)10-20-26/h13,15-18,21-22,26H,3-12,14,19-20H2,1-2H3