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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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