(4-carboxyphenyl)methylazanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (4-carboxyphenyl)methylazanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: (4-carboxyphenyl)methylammonium; 4-hydroxy-4-oxo-butanoate CAS Name: (4-carboxyphenyl)methylammonium; 4-hydroxy-4-oxobutanoate IUPAC Name: (4-carboxyphenyl)methylazanium; 4-hydroxy-4-oxobutanoate Traditional Name: (4-carboxybenzyl)ammonium; 4-hydroxy-4-keto-butyrate Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])C(=O)O.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])C(=O)O.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C8H9NO2.C4H6O4/c9-5-6-1-3-7(4-2-6)8(10)11;5-3(6)1-2-4(7)8/h1-4H,5,9H2,(H,10,11);1-2H2,(H,5,6)(H,7,8)