3-[(3-oxidanidylperoxysulfanylphenyl)-(3-sulfonatophenyl)amino]benzenesulfonate

Systemtic Name: 3-[(3-oxidanidylperoxysulfanylphenyl)-(3-sulfonatophenyl)amino]benzenesulfonate Openeye Name: 3-(3-oxidoperoxysulfanyl-N-(3-sulfonatophenyl)anilino)benzenesulfonate CAS Name: 3-[3-(oxidodioxythio)-N-(3-sulfonatophenyl)anilino]benzenesulfonate IUPAC Name: 3-(3-oxidoperoxysulfanyl-N-(3-sulfonatophenyl)anilino)benzenesulfonate Traditional Name: 3-[3-(oxidoperoxythio)-N-(3-sulfonatophenyl)anilino]besylate Formula: C18H12NO9S3-3 MolecularWeight: 482.48418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO9S3/c20-27-28-29-16-7-1-4-13(10-16)19(14-5-2-8-17(11-14)30(21,22)23)15-6-3-9-18(12-15)31(24,25)26/h1-12,20H,(H,21,22,23)(H,24,25,26)/p-3