sodium; 4-hexoxy-4-oxidanylidene-butanoic acid; hydrogen sulfite

Systemtic Name: sodium; 4-hexoxy-4-oxidanylidene-butanoic acid; hydrogen sulfite Openeye Name: sodium; 4-hexoxy-4-oxo-butanoic acid; hydrogen sulfite CAS Name: sodium; 4-hexoxy-4-oxobutanoic acid; hydrogen sulfite IUPAC Name: sodium; 4-hexoxy-4-oxobutanoic acid; hydrogen sulfite Traditional Name: sodium 4-hexoxy-4-keto-butyric acid bisulfite Formula: C10H19NaO7S MolecularWeight: 306.30843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCC(=O)O.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCOC(=O)CCC(=O)O.OS(=O)[O-].[Na+]

InChI

InChI=1S/C10H18O4.Na.H2O3S/c1-2-3-4-5-8-14-10(13)7-6-9(11)12;;1-4(2)3/h2-8H2,1H3,(H,11,12);;(H2,1,2,3)/q;+1;/p-1