4-[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]-5,6-bis(chloranyl)benzene-1,3-disulfonamide

Systemtic Name: 4-[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]-5,6-bis(chloranyl)benzene-1,3-disulfonamide Openeye Name: 4,5-dichloro-6-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide CAS Name: 4,5-dichloro-6-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)benzene-1,3-disulfonamide IUPAC Name: 4,5-dichloro-6-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide Traditional Name: 4,5-dichloro-6-(5,7-diketopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide Formula: C13H8Cl2N4O6S2 MolecularWeight: 451.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N(C2=O)C3=C(C(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)Cl)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)N(C2=O)C3=C(C(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)Cl)N=C1

InChI

InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)