4-oxidanyl-4-oxidanylidene-butanoate; phenylsulfonylazanium

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; phenylsulfonylazanium Openeye Name: benzenesulfonylammonium; 4-hydroxy-4-oxo-butanoate CAS Name: benzenesulfonylammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: benzenesulfonylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: besylammonium; 4-hydroxy-4-keto-butyrate Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[NH3+].C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[NH3+].C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C6H7NO2S.C4H6O4/c7-10(8,9)6-4-2-1-3-5-6;5-3(6)1-2-4(7)8/h1-5H,(H2,7,8,9);1-2H2,(H,5,6)(H,7,8)