disodium 4-(ethanethioylamino)-5-methyl-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate

Systemtic Name: disodium 4-(ethanethioylamino)-5-methyl-7-oxidanidylperoxysulfanyl-naphthalene-2-sulfonate Openeye Name: disodium 4-(ethanethioylamino)-5-methyl-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: disodium 5-methyl-7-(oxidodioxythio)-4-(1-sulfanylideneethylamino)-2-naphthalenesulfonate IUPAC Name: disodium 4-(ethanethioylamino)-5-methyl-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: disodium 5-methyl-7-(oxidoperoxythio)-4-(thioacetylamino)naphthalene-2-sulfonate Formula: C13H11NNa2O6S3 MolecularWeight: 419.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)SOO[O-])C=C(C=C2NC(=S)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C2C(=CC(=C1)SOO[O-])C=C(C=C2NC(=S)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H13NO6S3.2Na/c1-7-3-10(22-20-19-15)4-9-5-11(23(16,17)18)6-12(13(7)9)14-8(2)21;;/h3-6,15H,1-2H3,(H,14,21)(H,16,17,18);;/q;2*+1/p-2