[2-cyano-4-(2-methylhexyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester Formula: C36H51NO2 MolecularWeight: 529.79564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CCCC)C#N

InChI

InChI=1S/C36H51NO2/c1-4-6-8-9-10-11-13-17-30-18-21-33(22-19-30)36(24-14-12-15-25-36)35(38)39-34-23-20-31(27-32(34)28-37)26-29(3)16-7-5-2/h18-23,27,29H,4-17,24-26H2,1-3H3