4-[4-methyl-3,6-bis(oxidanylidene)-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-methyl-3,6-bis(oxidanylidene)-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl]benzenesulfonic acid Openeye Name: 4-(4-methyl-3,6-dioxo-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid CAS Name: 4-(4-methyl-3,6-dioxo-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid IUPAC Name: 4-(4-methyl-3,6-dioxo-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl)benzenesulfonic acid Traditional Name: 4-(3,6-diketo-4-methyl-1,7-dihydropyrazolo[3,4-b]pyridin-2-yl)besylic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC2=C1C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)NC2=C1C(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H11N3O5S/c1-7-6-10(17)14-12-11(7)13(18)16(15-12)8-2-4-9(5-3-8)22(19,20)21/h2-6H,1H3,(H2,14,15,17)(H,19,20,21)