sodium; 1-oxidanyl-3-oxidanylidene-dodecane-1-sulfonate; sulfurous acid

Systemtic Name: sodium; 1-oxidanyl-3-oxidanylidene-dodecane-1-sulfonate; sulfurous acid Openeye Name: sodium; 1-hydroxy-3-oxo-dodecane-1-sulfonate; sulfurous acid CAS Name: sodium; 1-hydroxy-3-oxo-1-dodecanesulfonate; sulfurous acid IUPAC Name: sodium; 1-hydroxy-3-oxododecane-1-sulfonate; sulfurous acid Traditional Name: sodium; 1-hydroxy-3-keto-dodecane-1-sulfonate; sulfurous acid Formula: C12H25NaO8S2 MolecularWeight: 384.44187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].OS(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)CC(O)S(=O)(=O)[O-].OS(=O)O.[Na+]

InChI

InChI=1S/C12H24O5S.Na.H2O3S/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)18(15,16)17;;1-4(2)3/h12,14H,2-10H2,1H3,(H,15,16,17);;(H2,1,2,3)/q;+1;/p-1