disodium 2-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 2-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 2-(3-acetamido-5-keto-2-pyrazolin-1-yl)-4-(oxidoperoxythio)besylate Formula: C11H9N3Na2O8S2 MolecularWeight: 421.314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1)C2=C(C=CC(=C2)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H11N3O8S2.2Na/c1-6(15)12-10-5-11(16)14(13-10)8-4-7(23-22-21-17)2-3-9(8)24(18,19)20;;/h2-4,17H,5H2,1H3,(H,12,13,15)(H,18,19,20);;/q;2*+1/p-2