[4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-nonylphenyl)benzoate

Systemtic Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-nonylphenyl)benzoate Openeye Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-nonylphenyl)benzoate CAS Name: 4-(4-nonylphenyl)benzoic acid [4-cyano-4-(2-methylbutyl)cyclohexyl] ester IUPAC Name: [4-cyano-4-(2-methylbutyl)cyclohexyl] 4-(4-nonylphenyl)benzoate Traditional Name: 4-(4-nonylphenyl)benzoic acid [4-cyano-4-(2-methylbutyl)cyclohexyl] ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-6-7-8-9-10-11-12-28-13-15-29(16-14-28)30-17-19-31(20-18-30)33(36)37-32-21-23-34(26-35,24-22-32)25-27(3)5-2/h13-20,27,32H,4-12,21-25H2,1-3H3