sodium 3-deuterio-3-methyl-2-oxidanylidene-butanoate

Systemtic Name: sodium 3-deuterio-3-methyl-2-oxidanylidene-butanoate Openeye Name: sodium 3-deuterio-3-methyl-2-oxo-butanoate CAS Name: sodium 3-deuterio-3-methyl-2-oxobutanoate IUPAC Name: sodium 3-deuterio-3-methyl-2-oxobutanoate Traditional Name: sodium 3-deuterio-2-keto-3-methyl-butyrate Formula: C5H7NaO3 MolecularWeight: 144.066486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H][13C]([13CH3])([13CH3])[13C](=O)[13C](=O)[O-].[Na+]

InChI

InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1D,4+1,5+1;