disodium; (6E)-4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-6-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate; copper

Systemtic Name: disodium; (6E)-4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-6-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate; copper Openeye Name: disodium; copper; (6E)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-6-[(2-hydroxy-5-nitro-phenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium; copper; (6E)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-6-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium; copper; (6E)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-6-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium; copper; (6E)-4-[(4,6-dichloro-s-triazin-2-yl)amino]-6-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C19H9Cl2CuN7Na2O10S2 MolecularWeight: 739.8772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11Cl2N7O10S2.Cu.2Na/c20-17-23-18(21)25-19(24-17)22-11-6-9(40(34,35)36)3-7-4-13(39-38-37-33)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;/h1-6,26,29,33H,(H,34,35,36)(H,22,23,24,25);;;/q;;2*+1/p-2/b27-15-;;;