(2-cyano-4-nonyl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-nonyl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-nonyl-phenyl) 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid (2-cyano-4-nonyl-phenyl) ester Formula: C38H55NO2 MolecularWeight: 557.8488

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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)CCCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C38H55NO2/c1-3-5-7-9-11-13-16-20-32-22-25-35(26-23-32)38(28-18-15-19-29-38)37(40)41-36-27-24-33(30-34(36)31-39)21-17-14-12-10-8-6-4-2/h22-27,30H,3-21,28-29H2,1-2H3