disodium (6E)-4-[[4-chloranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-[[4-chloranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-(phenylhydrazono)naphthalene-2-sulfonate CAS Name: disodium (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-7-(oxidodioxythio)-5-oxo-6-(phenylhydrazinylidene)-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-7-oxidoperoxysulfanyl-5-oxo-6-(phenylhydrazinylidene)naphthalene-2-sulfonate Traditional Name: disodium (6E)-4-[[4-chloro-6-(methylamino)-s-triazin-2-yl]amino]-5-keto-7-(oxidoperoxythio)-6-(phenylhydrazono)naphthalene-2-sulfonate Formula: C20H14ClN7Na2O7S2 MolecularWeight: 609.9304

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=CC=C4)C3=O)SOO[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=CC=C4)/C3=O)SOO[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C20H16ClN7O7S2.2Na/c1-22-19-24-18(21)25-20(26-19)23-13-9-12(37(31,32)33)7-10-8-14(36-35-34-30)16(17(29)15(10)13)28-27-11-5-3-2-4-6-11;;/h2-9,27,30H,1H3,(H,31,32,33)(H2,22,23,24,25,26);;/q;2*+1/p-2/b28-16-;;