sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)pentanoate

Systemtic Name: sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)pentanoate Openeye Name: sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)pentanoate CAS Name: sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)pentanoate IUPAC Name: sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)pentanoate Traditional Name: sodium 3-cyano-2-(2,2,6-trimethylcyclohexyl)valerate Formula: C15H24NNaO2 MolecularWeight: 273.34633

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(C1C(CCCC1(C)C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C#N)C(C1C(CCCC1(C)C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H25NO2.Na/c1-5-11(9-16)12(14(17)18)13-10(2)7-6-8-15(13,3)4;/h10-13H,5-8H2,1-4H3,(H,17,18);/q;+1/p-1