1-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: 1-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: 1-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-pentyl-1-cyclohexanecarboxylate IUPAC Name: 1-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-1-cyano-cyclohexanecarboxylate Formula: C13H20NO2- MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)(C#N)C(=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)(C#N)C(=O)[O-]

InChI

InChI=1S/C13H21NO2/c1-2-3-4-5-11-6-8-13(10-14,9-7-11)12(15)16/h11H,2-9H2,1H3,(H,15,16)/p-1