2-[(E)-N'-oxidanylcarbamimidoyl]isoindol-2-ium-2-sulfinate

Systemtic Name: 2-[(E)-N'-oxidanylcarbamimidoyl]isoindol-2-ium-2-sulfinate Openeye Name: 2-[(E)-N'-hydroxycarbamimidoyl]isoindol-2-ium-2-sulfinate CAS Name: 2-[(E)-amino(hydroxyimino)methyl]-2-isoindol-2-iumsulfinate IUPAC Name: 2-[(E)-N'-hydroxycarbamimidoyl]isoindol-2-ium-2-sulfinate Traditional Name: 2-[(E)-aminocarbohydroximoyl]isoindol-2-ium-2-sulfinate Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C[N+](C=C2C=C1)(C(=NO)N)S(=O)[O-]

Isomeric SMILES

C1=CC2=C[N+](C=C2C=C1)(/C(=N/O)/N)S(=O)[O-]

InChI

InChI=1S/C9H9N3O3S/c10-9(11-13)12(16(14)15)5-7-3-1-2-4-8(7)6-12/h1-6H,(H3-,10,11,13,14,15)