[4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] nonanoate

Systemtic Name: [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] nonanoate Openeye Name: [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[4-(4-cyano-4-octylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyano-4-octylcyclohexyl)phenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] ester Formula: C36H51NO2 MolecularWeight: 529.79564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCCCC)C#N

InChI

InChI=1S/C36H51NO2/c1-3-5-7-9-11-13-15-35(38)39-34-22-20-32(21-23-34)30-16-18-31(19-17-30)33-24-27-36(29-37,28-25-33)26-14-12-10-8-6-4-2/h16-23,33H,3-15,24-28H2,1-2H3