calcium 4-oxidanylidene-4-sulfooxy-butanoate

Systemtic Name: calcium 4-oxidanylidene-4-sulfooxy-butanoate Openeye Name: calcium 4-oxo-4-sulfooxy-butanoate CAS Name: calcium 4-oxo-4-sulfooxybutanoate IUPAC Name: calcium 4-oxo-4-sulfooxybutanoate Traditional Name: calcium 4-keto-4-sulfoxy-butyrate Formula: C4H5CaO7S+ MolecularWeight: 237.2213

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)OS(=O)(=O)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C(CC(=O)OS(=O)(=O)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C4H6O7S.Ca/c5-3(6)1-2-4(7)11-12(8,9)10;/h1-2H2,(H,5,6)(H,8,9,10);/q;+2/p-1