calcium 2-oxidanylidene-4-sulfanylidene-butanoate

Systemtic Name: calcium 2-oxidanylidene-4-sulfanylidene-butanoate Openeye Name: calcium 2-oxo-4-thioxo-butanoate CAS Name: calcium 2-oxo-4-sulfanylidenebutanoate IUPAC Name: calcium 2-oxo-4-sulfanylidenebutanoate Traditional Name: calcium 2-keto-4-thioxo-butyrate Formula: C8H6CaO6S2 MolecularWeight: 302.33764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H4O3S.Ca/c2*5-3(1-2-8)4(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2