trisodium 3-[[4-chloranyl-6-[[(7E)-6-oxidanidylperoxysulfanyl-7-[(3-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-8-oxidanylidene-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate

Systemtic Name: trisodium 3-[[4-chloranyl-6-[[(7E)-6-oxidanidylperoxysulfanyl-7-[(3-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-8-oxidanylidene-naphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate Openeye Name: trisodium 3-[[4-chloro-6-[[(7E)-6-oxidoperoxysulfanyl-7-[(3-oxidoperoxysulfanylphenyl)hydrazono]-8-oxo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate CAS Name: trisodium 3-[[4-chloro-6-[[(7E)-6-(oxidodioxythio)-7-[[3-(oxidodioxythio)phenyl]hydrazinylidene]-8-oxo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate IUPAC Name: trisodium 3-[[4-chloro-6-[[(7E)-6-oxidoperoxysulfanyl-7-[(3-oxidoperoxysulfanylphenyl)hydrazinylidene]-8-oxonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonate Traditional Name: trisodium 3-[[4-chloro-6-[[(7E)-8-keto-6-(oxidoperoxythio)-7-[[3-(oxidoperoxythio)phenyl]hydrazono]-2-naphthyl]amino]-s-triazin-2-yl]amino]besylate Formula: C25H15ClN7Na3O10S3 MolecularWeight: 774.04481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SOO[O-])NN=C2C(=CC3=C(C2=O)C=C(C=C3)NC4=NC(=NC(=N4)Cl)NC5=CC(=CC=C5)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)SOO[O-])N/N=C\2/C(=CC3=C(C2=O)C=C(C=C3)NC4=NC(=NC(=N4)Cl)NC5=CC(=CC=C5)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H18ClN7O10S3.3Na/c26-23-29-24(27-14-3-2-6-18(11-14)46(37,38)39)31-25(30-23)28-15-8-7-13-9-20(45-43-41-36)21(22(34)19(13)12-15)33-32-16-4-1-5-17(10-16)44-42-40-35;;;/h1-12,32,35-36H,(H,37,38,39)(H2,27,28,29,30,31);;;/q;3*+1/p-3/b33-21-;;;