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sodium 4-deuterio-2-oxidanylidene-butanoate hydrate

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;;


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