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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C36H51NO2/c1-3-5-7-9-10-12-15-19-31-22-25-34(32(28-31)29-37)39-35(38)36(26-16-13-17-27-36)33-23-20-30(21-24-33)18-14-11-8-6-4-2/h20-25,28H,3-19,26-27H2,1-2H3