sodium 4-methyl-2-oxidanylidene-pentanoate hydrate

Systemtic Name: sodium 4-methyl-2-oxidanylidene-pentanoate hydrate Openeye Name: sodium 4-methyl-2-oxo-pentanoate hydrate CAS Name: sodium 4-methyl-2-oxopentanoate hydrate IUPAC Name: sodium 4-methyl-2-oxopentanoate hydrate Traditional Name: sodium 2-keto-4-methyl-valerate hydrate Formula: C6H11NaO4 MolecularWeight: 170.13891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O3.Na.H2O/c1-4(2)3-5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;1H2/q;+1;/p-1