trisodium 2-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-5-[[4-(diethynylamino)-6-(2-oxidanidylperoxysulfanylethynylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate

Systemtic Name: trisodium 2-[2-(2-azanylidene-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-5-[[4-(diethynylamino)-6-(2-oxidanidylperoxysulfanylethynylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate Openeye Name: trisodium 5-[[4-(diethynylamino)-6-(2-oxidoperoxysulfanylethynylamino)-1,3,5-triazin-2-yl]amino]-2-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxo-1-naphthyl)hydrazino]benzenesulfonate CAS Name: trisodium 5-[[4-(diethynylamino)-6-[2-(oxidodioxythio)ethynylamino]-1,3,5-triazin-2-yl]amino]-2-[[2-imino-6-(oxidodioxythio)-8-oxo-1-naphthalenyl]hydrazo]benzenesulfonate IUPAC Name: trisodium 5-[[4-(diethynylamino)-6-(2-oxidoperoxysulfanylethynylamino)-1,3,5-triazin-2-yl]amino]-2-[2-(2-imino-6-oxidoperoxysulfanyl-8-oxonaphthalen-1-yl)hydrazinyl]benzenesulfonate Traditional Name: trisodium 5-[[4-(diethynylamino)-6-[2-(oxidoperoxythio)ethynylamino]-s-triazin-2-yl]amino]-2-[N'-[2-imino-8-keto-6-(oxidoperoxythio)-1-naphthyl]hydrazino]besylate Formula: C25H14N9Na3O10S3 MolecularWeight: 765.59727

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Descriptors Computed from Structure

Canonical SMILES:

C#CN(C#C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)SOO[O-])C=CC3=N)S(=O)(=O)[O-])NC#CSOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C#CN(C#C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)SOO[O-])C=CC3=N)S(=O)(=O)[O-])NC#CSOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H17N9O10S3.3Na/c1-3-34(4-2)25-30-23(27-9-10-45-43-41-36)29-24(31-25)28-15-6-8-18(20(12-15)47(38,39)40)32-33-22-17(26)7-5-14-11-16(46-44-42-37)13-19(35)21(14)22;;;/h1-2,5-8,11-13,26,32-33,36-37H,(H,38,39,40)(H2,27,28,29,30,31);;;/q;3*+1/p-3