disodium 5-(ethanethioylamino)-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate

Systemtic Name: disodium 5-(ethanethioylamino)-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate Openeye Name: disodium 5-(ethanethioylamino)-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: disodium 7-(oxidodioxythio)-5-(1-sulfanylideneethylamino)-2-naphthalenesulfonate IUPAC Name: disodium 5-(ethanethioylamino)-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: disodium 7-(oxidoperoxythio)-5-(thioacetylamino)naphthalene-2-sulfonate Formula: C12H9NNa2O6S3 MolecularWeight: 405.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=C2C=CC(=CC2=CC(=C1)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=S)NC1=C2C=CC(=CC2=CC(=C1)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H11NO6S3.2Na/c1-7(20)13-12-6-9(21-19-18-14)4-8-5-10(22(15,16)17)2-3-11(8)12;;/h2-6,14H,1H3,(H,13,20)(H,15,16,17);;/q;2*+1/p-2