(4-heptylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-(4-methylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-methylcyclohexyl)-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-methylcyclohexyl)cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C27H42O2 MolecularWeight: 398.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)C

InChI

InChI=1S/C27H42O2/c1-3-4-5-6-7-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(2)10-14-23/h11-12,19-21,23-25H,3-10,13-18H2,1-2H3