(1-cyano-4-cyclohexyl-cyclohexyl) octanoate

Systemtic Name: (1-cyano-4-cyclohexyl-cyclohexyl) octanoate Openeye Name: (1-cyano-4-cyclohexyl-cyclohexyl) octanoate CAS Name: octanoic acid (1-cyano-4-cyclohexylcyclohexyl) ester IUPAC Name: (1-cyano-4-cyclohexylcyclohexyl) octanoate Traditional Name: caprylic acid (1-cyano-4-cyclohexyl-cyclohexyl) ester Formula: C21H35NO2 MolecularWeight: 333.5081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1(CCC(CC1)C2CCCCC2)C#N

Isomeric SMILES

CCCCCCCC(=O)OC1(CCC(CC1)C2CCCCC2)C#N

InChI

InChI=1S/C21H35NO2/c1-2-3-4-5-9-12-20(23)24-21(17-22)15-13-19(14-16-21)18-10-7-6-8-11-18/h18-19H,2-16H2,1H3