sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)pentanoate

Systemtic Name: sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)pentanoate Openeye Name: sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)pentanoate CAS Name: sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)pentanoate IUPAC Name: sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)pentanoate Traditional Name: sodium 3-cyano-2-methyl-5-(2,2,6-trimethylcyclohexyl)valerate Formula: C16H26NNaO2 MolecularWeight: 287.37291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1CCC(C#N)C(C)C(=O)[O-])(C)C.[Na+]

Isomeric SMILES

CC1CCCC(C1CCC(C#N)C(C)C(=O)[O-])(C)C.[Na+]

InChI

InChI=1S/C16H27NO2.Na/c1-11-6-5-9-16(3,4)14(11)8-7-13(10-17)12(2)15(18)19;/h11-14H,5-9H2,1-4H3,(H,18,19);/q;+1/p-1