trisodium (6E)-4-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (6E)-4-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (6E)-4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (6E)-4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-7-(oxidodioxythio)-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (6E)-4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (6E)-4-[[4-chloro-6-(N-methylanilino)-s-triazin-2-yl]amino]-5-keto-7-(oxidoperoxythio)-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C26H17ClN7Na3O10S3 MolecularWeight: 788.07139

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=CC=CC=C5S(=O)(=O)[O-])C4=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N/NC5=CC=CC=C5S(=O)(=O)[O-])/C4=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(46(37,38)39)11-14-12-19(45-44-43-36)22(23(35)21(14)18)33-32-17-9-5-6-10-20(17)47(40,41)42;;;/h2-13,32,36H,1H3,(H,37,38,39)(H,40,41,42)(H,28,29,30,31);;;/q;3*+1/p-3/b33-22-;;;