5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid

Systemtic Name: 5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid Openeye Name: 5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid CAS Name: 5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid IUPAC Name: 5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid Traditional Name: 5-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]hexanoic acid Formula: C28H49NO2 MolecularWeight: 431.69416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCCC(=O)O

InChI

InChI=1S/C28H49NO2/c1-3-4-5-6-7-8-9-12-24-14-16-25(17-15-24)26-18-20-28(22-29,21-19-26)23(2)11-10-13-27(30)31/h23-26H,3-21H2,1-2H3,(H,30,31)