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

Systemtic Name: [4-(4-cyano-4-octyl-cyclohexyl)phenyl] 4-octoxybenzoate Openeye Name: [4-(4-cyano-4-octyl-cyclohexyl)phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-(4-cyano-4-octylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-cyano-4-octylcyclohexyl)phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(4-cyano-4-octyl-cyclohexyl)phenyl] ester Formula: C36H51NO3 MolecularWeight: 545.79504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C36H51NO3/c1-3-5-7-9-11-13-25-36(29-37)26-23-31(24-27-36)30-15-21-34(22-16-30)40-35(38)32-17-19-33(20-18-32)39-28-14-12-10-8-6-4-2/h15-22,31H,3-14,23-28H2,1-2H3