2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (4-carboxyphenyl)methylazanium

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (4-carboxyphenyl)methylazanium Openeye Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; (4-carboxyphenyl)methylammonium CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; (4-carboxyphenyl)methylammonium IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; (4-carboxyphenyl)methylazanium Traditional Name: (4-carboxybenzyl)ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate Formula: C14H17NO9 MolecularWeight: 343.28608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO2.C6H8O7/c9-5-6-1-3-7(4-2-6)8(10)11;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-4H,5,9H2,(H,10,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)