2-(4-carboxypyridin-2-yl)-6-[4-(dioxidanylmethyl)pyridin-2-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-(4-carboxypyridin-2-yl)-6-[4-(dioxidanylmethyl)pyridin-2-yl]pyridine-4-carboxylic acid Openeye Name: 2-(4-carboxy-2-pyridyl)-6-[4-(hydroperoxymethyl)-2-pyridyl]pyridine-4-carboxylic acid CAS Name: 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroperoxymethyl)-2-pyridinyl]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-carboxypyridin-2-yl)-6-[4-(hydroperoxymethyl)pyridin-2-yl]pyridine-4-carboxylic acid Traditional Name: 2-(4-carboxy-2-pyridyl)-6-[4-(hydroperoxymethyl)-2-pyridyl]isonicotinic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1COO)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CN=C(C=C1COO)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O6/c22-17(23)11-2-4-20-14(6-11)16-8-12(18(24)25)7-15(21-16)13-5-10(9-27-26)1-3-19-13/h1-8,26H,9H2,(H,22,23)(H,24,25)