2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)ethanoate

Systemtic Name: 2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)ethanoate Openeye Name: 2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)acetate CAS Name: 2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)acetate IUPAC Name: 2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)acetate Traditional Name: 2-cyano-2-(1,3,3,5,5-pentamethylcyclohexyl)acetate Formula: C14H22NO2- MolecularWeight: 236.32998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C(C#N)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C(C#N)C(=O)[O-])(C)C)C

InChI

InChI=1S/C14H23NO2/c1-12(2)7-13(3,4)9-14(5,8-12)10(6-15)11(16)17/h10H,7-9H2,1-5H3,(H,16,17)/p-1