4-oxidanylidene-4-(phenylcarbonylperoxy)-3-sulfo-butanoate

Systemtic Name: 4-oxidanylidene-4-(phenylcarbonylperoxy)-3-sulfo-butanoate Openeye Name: 4-benzoylperoxy-4-oxo-3-sulfo-butanoate CAS Name: 4-benzoyldioxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-benzoylperoxy-4-oxo-3-sulfobutanoate Traditional Name: 4-benzoylperoxy-4-keto-3-sulfo-butyrate Formula: C11H9O9S- MolecularWeight: 317.24876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OOC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OOC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C11H10O9S/c12-9(13)6-8(21(16,17)18)11(15)20-19-10(14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,16,17,18)/p-1