1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid Formula: C14H12NO5+ MolecularWeight: 274.24878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5/c16-11-4-3-9(6-12(11)17)13(18)8-15-5-1-2-10(7-15)14(19)20/h1-7H,8H2,(H2-,16,17,18,19,20)/p+1