sodium 4-deuterio-2-oxidanylidene-butanoate hydrate

Systemtic Name: sodium 4-deuterio-2-oxidanylidene-butanoate hydrate Openeye Name: sodium 4-deuterio-2-oxo-butanoate hydrate CAS Name: sodium 4-deuterio-2-oxobutanoate hydrate IUPAC Name: sodium 4-deuterio-2-oxobutanoate hydrate Traditional Name: sodium 4-deuterio-2-keto-butyrate hydrate Formula: C4H7NaO4 MolecularWeight: 144.084567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H][13CH2]CC(=O)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C4H6O3.Na.H2O/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1D;;