sodium 2-cyano-3,7,11-trimethyl-dodecanoate

Systemtic Name: sodium 2-cyano-3,7,11-trimethyl-dodecanoate Openeye Name: sodium 2-cyano-3,7,11-trimethyl-dodecanoate CAS Name: sodium 2-cyano-3,7,11-trimethyldodecanoate IUPAC Name: sodium 2-cyano-3,7,11-trimethyldodecanoate Traditional Name: sodium 2-cyano-3,7,11-trimethyl-laurate Formula: C16H28NNaO2 MolecularWeight: 289.38879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)C(C#N)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)C(C#N)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H29NO2.Na/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(11-17)16(18)19;/h12-15H,5-10H2,1-4H3,(H,18,19);/q;+1/p-1