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

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid (2-cyano-4-octyl-phenyl) ester Formula: C37H53NO2 MolecularWeight: 543.82222

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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)CCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C37H53NO2/c1-3-5-7-9-11-13-15-19-31-21-24-34(25-22-31)37(27-17-14-18-28-37)36(39)40-35-26-23-32(29-33(35)30-38)20-16-12-10-8-6-4-2/h21-26,29H,3-20,27-28H2,1-2H3