1-[2-(1-oxidanyl-2-oxidanylidene-ethyl)phenyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-(1-oxidanyl-2-oxidanylidene-ethyl)phenyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[2-(1-hydroxy-2-oxo-ethyl)phenyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[2-(1-hydroxy-2-oxoethyl)phenyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[2-(1-hydroxy-2-oxoethyl)phenyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[2-(1-hydroxy-2-keto-ethyl)phenyl]pyridin-1-ium-3-carboxylic acid Formula: C14H12NO4+ MolecularWeight: 258.24938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C=O)O)[N+]2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(C=O)O)[N+]2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H11NO4/c16-9-13(17)11-5-1-2-6-12(11)15-7-3-4-10(8-15)14(18)19/h1-9,13,17H/p+1