4-oxidanyl-4-oxidanylidene-butanoate; (4-sulfophenyl)azanium

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; (4-sulfophenyl)azanium Openeye Name: 4-hydroxy-4-oxo-butanoate; (4-sulfophenyl)ammonium CAS Name: 4-hydroxy-4-oxobutanoate; (4-sulfophenyl)ammonium IUPAC Name: 4-hydroxy-4-oxobutanoate; (4-sulfophenyl)azanium Traditional Name: 4-hydroxy-4-keto-butyrate; (4-sulfophenyl)ammonium Formula: C10H13NO7S MolecularWeight: 291.27772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7NO3S.C4H6O4/c7-5-1-3-6(4-2-5)11(8,9)10;5-3(6)1-2-4(7)8/h1-4H,7H2,(H,8,9,10);1-2H2,(H,5,6)(H,7,8)