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

Systemtic Name: [4-(4-cyano-4-octyl-cyclohexyl)phenyl] octanoate Openeye Name: [4-(4-cyano-4-octyl-cyclohexyl)phenyl] octanoate CAS Name: octanoic acid [4-(4-cyano-4-octylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-cyano-4-octylcyclohexyl)phenyl] octanoate Traditional Name: caprylic acid [4-(4-cyano-4-octyl-cyclohexyl)phenyl] ester Formula: C29H45NO2 MolecularWeight: 439.6731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO2/c1-3-5-7-9-11-13-21-29(24-30)22-19-26(20-23-29)25-15-17-27(18-16-25)32-28(31)14-12-10-8-6-4-2/h15-18,26H,3-14,19-23H2,1-2H3