3-(dioxidanylmethyl)-5-(2,6-dipyridin-2-ylpyridin-4-yl)benzoic acid

Systemtic Name: 3-(dioxidanylmethyl)-5-(2,6-dipyridin-2-ylpyridin-4-yl)benzoic acid Openeye Name: 3-[2,6-bis(2-pyridyl)-4-pyridyl]-5-(hydroperoxymethyl)benzoic acid CAS Name: 3-[2,6-bis(2-pyridinyl)-4-pyridinyl]-5-(hydroperoxymethyl)benzoic acid IUPAC Name: 3-(2,6-dipyridin-2-ylpyridin-4-yl)-5-(hydroperoxymethyl)benzoic acid Traditional Name: 3-[2,6-bis(2-pyridyl)-4-pyridyl]-5-(hydroperoxymethyl)benzoic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=CC(=C4)COO)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=CC(=C4)COO)C(=O)O

InChI

InChI=1S/C23H17N3O4/c27-23(28)18-10-15(14-30-29)9-16(11-18)17-12-21(19-5-1-3-7-24-19)26-22(13-17)20-6-2-4-8-25-20/h1-13,29H,14H2,(H,27,28)