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

Systemtic Name: (2-cyano-4-nonyl-phenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-nonyl-phenyl) 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid (2-cyano-4-nonyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H49NO2/c1-3-5-7-9-10-11-14-18-30-21-24-33(31(27-30)28-36)38-34(37)35(25-15-12-16-26-35)32-22-19-29(20-23-32)17-13-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3