3-[methyl-(3-oxidanidylperoxysulfanylphenyl)-(3-sulfonatophenyl)azaniumyl]benzenesulfonate

Systemtic Name: 3-[methyl-(3-oxidanidylperoxysulfanylphenyl)-(3-sulfonatophenyl)azaniumyl]benzenesulfonate Openeye Name: 3-[methyl-(3-oxidoperoxysulfanylphenyl)-(3-sulfonatophenyl)ammonio]benzenesulfonate CAS Name: 3-[methyl-[3-(oxidodioxythio)phenyl]-(3-sulfonatophenyl)ammonio]benzenesulfonate IUPAC Name: 3-[methyl-(3-oxidoperoxysulfanylphenyl)-(3-sulfonatophenyl)azaniumyl]benzenesulfonate Traditional Name: 3-[methyl-[3-(oxidoperoxythio)phenyl]-(3-sulfonatophenyl)ammonio]besylate Formula: C19H15NO9S3-2 MolecularWeight: 497.5187

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC(=CC=C1)SOO[O-])(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C1=CC(=CC=C1)SOO[O-])(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17NO9S3/c1-20(14-5-2-8-17(11-14)30-29-28-21,15-6-3-9-18(12-15)31(22,23)24)16-7-4-10-19(13-16)32(25,26)27/h2-13H,1H3,(H2-,21,22,23,24,25,26,27)/p-2