trisodium (6E)-4-[[4-chloranyl-6-[(2-chlorophenyl)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-[(2-chlorophenyl)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-(2-chloroanilino)-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-(2-chloroanilino)-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-(2-chloroanilino)-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-(2-chloroanilino)-s-triazin-2-yl]amino]-5-keto-7-(oxidoperoxythio)-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C25H14Cl2N7Na3O10S3 MolecularWeight: 808.48987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC=C5Cl)Cl)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)NC5=CC=CC=C5Cl)Cl)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H17Cl2N7O10S3.3Na/c26-14-5-1-2-6-15(14)28-24-30-23(27)31-25(32-24)29-17-11-13(46(37,38)39)9-12-10-18(45-44-43-36)21(22(35)20(12)17)34-33-16-7-3-4-8-19(16)47(40,41)42;;;/h1-11,33,36H,(H,37,38,39)(H,40,41,42)(H2,28,29,30,31,32);;;/q;3*+1/p-3/b34-21-;;;