disodium 3-(ethanethioylamino)-5-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 3-(ethanethioylamino)-5-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 3-(ethanethioylamino)-5-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 3-(oxidodioxythio)-5-(1-sulfanylideneethylamino)benzenesulfonate IUPAC Name: disodium 3-(ethanethioylamino)-5-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 3-(oxidoperoxythio)-5-(thioacetylamino)besylate Formula: C8H7NNa2O6S3 MolecularWeight: 355.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=CC(=C1)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(=S)NC1=CC(=CC(=C1)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C8H9NO6S3.2Na/c1-5(16)9-6-2-7(17-15-14-10)4-8(3-6)18(11,12)13;;/h2-4,10H,1H3,(H,9,16)(H,11,12,13);;/q;2*+1/p-2