[2-cyano-4-(2-ethylhexyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(2-ethylhexyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-ethylhexyl)phenyl] 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-ethylhexyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-ethylhexyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-ethylhexyl)phenyl] ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(CC)CCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(CC)CCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-7-9-11-15-28-16-19-31(20-17-28)34(22-12-10-13-23-34)33(36)37-32-21-18-29(25-30(32)26-35)24-27(6-3)14-8-5-2/h16-21,25,27H,4-15,22-24H2,1-3H3