sodium 3-oxidanylbutanoate hydrate

Systemtic Name: sodium 3-oxidanylbutanoate hydrate Openeye Name: sodium 3-hydroxybutanoate hydrate CAS Name: sodium 3-hydroxybutanoate hydrate IUPAC Name: sodium 3-hydroxybutanoate hydrate Traditional Name: sodium 3-hydroxybutyrate hydrate Formula: C4H9NaO4 MolecularWeight: 146.08694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[13CH3]C([13CH2]C(=O)[O-])O.O.[Na+]

InChI

InChI=1S/C4H8O3.Na.H2O/c1-3(5)2-4(6)7;;/h3,5H,2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1,2+1;;