4-(1-methylpyridin-1-ium-3-yl)carbonyloxy-3,5-bis(oxidanyl)benzoate

Systemtic Name: 4-(1-methylpyridin-1-ium-3-yl)carbonyloxy-3,5-bis(oxidanyl)benzoate Openeye Name: 3,5-dihydroxy-4-(1-methylpyridin-1-ium-3-carbonyl)oxy-benzoate CAS Name: 3,5-dihydroxy-4-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]benzoate IUPAC Name: 3,5-dihydroxy-4-(1-methylpyridin-1-ium-3-carbonyl)oxybenzoate Traditional Name: 3,5-dihydroxy-4-(1-methylpyridin-1-ium-3-carbonyl)oxy-benzoate Formula: C14H11NO6 MolecularWeight: 289.24024

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2O)C(=O)[O-])O

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2O)C(=O)[O-])O

InChI

InChI=1S/C14H11NO6/c1-15-4-2-3-8(7-15)14(20)21-12-10(16)5-9(13(18)19)6-11(12)17/h2-7H,1H3,(H2-,16,17,18,19)