4-methoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-methoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-methoxy-4-oxo-3-sulfo-butanoate CAS Name: 4-methoxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-methoxy-4-oxo-3-sulfobutanoate Traditional Name: 4-keto-4-methoxy-3-sulfo-butyrate Formula: C5H7O7S- MolecularWeight: 211.16988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

COC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C5H8O7S/c1-12-5(8)3(2-4(6)7)13(9,10)11/h3H,2H2,1H3,(H,6,7)(H,9,10,11)/p-1