trisodium 2-[4-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-3-oxidanidylperoxysulfanyl-phenyl]sulfonylethyl sulfate

Systemtic Name: trisodium 2-[4-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-3-oxidanidylperoxysulfanyl-phenyl]sulfonylethyl sulfate Openeye Name: trisodium 2-[4-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxo-1-naphthyl)hydrazino]-3-oxidoperoxysulfanyl-phenyl]sulfonylethyl sulfate CAS Name: trisodium 2-[4-[[2-imino-6-(oxidodioxythio)-8-oxo-1-naphthalenyl]hydrazo]-3-(oxidodioxythio)phenyl]sulfonylethyl sulfate IUPAC Name: trisodium 2-[4-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxonaphthalen-1-yl)hydrazinyl]-3-oxidoperoxysulfanylphenyl]sulfonylethyl sulfate Traditional Name: trisodium 2-[4-[N'-[2-imino-8-keto-6-(oxidoperoxythio)-1-naphthyl]hydrazino]-3-(oxidoperoxythio)phenyl]sulfonylethyl sulfate Formula: C18H14N3Na3O13S4 MolecularWeight: 677.54537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)SOO[O-])NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)SOO[O-])NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O13S4.3Na/c19-13-3-1-10-7-11(35-33-31-23)8-15(22)17(10)18(13)21-20-14-4-2-12(9-16(14)36-34-32-24)37(25,26)6-5-30-38(27,28)29;;;/h1-4,7-9,19-21,23-24H,5-6H2,(H,27,28,29);;;/q;3*+1/p-3