sodium 2-methyl-2-oxidanyl-3-oxidanylidene-octanoate

Systemtic Name: sodium 2-methyl-2-oxidanyl-3-oxidanylidene-octanoate Openeye Name: sodium 2-hydroxy-2-methyl-3-oxo-octanoate CAS Name: sodium 2-hydroxy-2-methyl-3-oxooctanoate IUPAC Name: sodium 2-hydroxy-2-methyl-3-oxooctanoate Traditional Name: sodium 2-hydroxy-3-keto-2-methyl-caprylate Formula: C9H15NaO4 MolecularWeight: 210.20277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)(C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCC(=O)C(C)(C(=O)[O-])O.[Na+]

InChI

InChI=1S/C9H16O4.Na/c1-3-4-5-6-7(10)9(2,13)8(11)12;/h13H,3-6H2,1-2H3,(H,11,12);/q;+1/p-1