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

Systemtic Name: (2-cyano-4-octyl-phenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-octyl-phenyl) 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid (2-cyano-4-octyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-3-5-7-9-10-13-17-29-20-23-32(30(26-29)27-35)37-33(36)34(24-14-11-15-25-34)31-21-18-28(19-22-31)16-12-8-6-4-2/h18-23,26H,3-17,24-25H2,1-2H3