sodium 3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoate

Systemtic Name: sodium 3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoate Openeye Name: sodium 4-hydroxy-3,3-dimethyl-2-oxo-butanoate CAS Name: sodium 4-hydroxy-3,3-dimethyl-2-oxobutanoate IUPAC Name: sodium 4-hydroxy-3,3-dimethyl-2-oxobutanoate Traditional Name: sodium 4-hydroxy-2-keto-3,3-dimethyl-butyrate Formula: C6H9NaO4 MolecularWeight: 168.12303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(CO)C(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C6H10O4.Na/c1-6(2,3-7)4(8)5(9)10;/h7H,3H2,1-2H3,(H,9,10);/q;+1/p-1