4-oxidanyl-4-oxidanylidene-2-(3-oxidanylpyridin-1-ium-1-yl)butanoate

Systemtic Name: 4-oxidanyl-4-oxidanylidene-2-(3-oxidanylpyridin-1-ium-1-yl)butanoate Openeye Name: 4-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-4-oxo-butanoate CAS Name: 4-hydroxy-2-(3-hydroxy-1-pyridin-1-iumyl)-4-oxobutanoate IUPAC Name: 4-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-4-oxobutanoate Traditional Name: 4-hydroxy-2-(3-hydroxypyridin-1-ium-1-yl)-4-keto-butyrate Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C(CC(=O)O)C(=O)[O-])O

Isomeric SMILES

C1=CC(=C[N+](=C1)C(CC(=O)O)C(=O)[O-])O

InChI

InChI=1S/C9H9NO5/c11-6-2-1-3-10(5-6)7(9(14)15)4-8(12)13/h1-3,5,7H,4H2,(H2-,11,12,13,14,15)