disodium 4-[(4Z)-3-methyl-4-[[(7E)-6-oxidanidylperoxysulfanyl-8-oxidanylidene-7-(quinolin-8-ylhydrazinylidene)naphthalen-2-yl]hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 4-[(4Z)-3-methyl-4-[[(7E)-6-oxidanidylperoxysulfanyl-8-oxidanylidene-7-(quinolin-8-ylhydrazinylidene)naphthalen-2-yl]hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 4-[(4Z)-3-methyl-4-[[(7E)-6-oxidoperoxysulfanyl-8-oxo-7-(8-quinolylhydrazono)-2-naphthyl]hydrazono]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 4-[(4Z)-3-methyl-4-[[(7E)-6-(oxidodioxythio)-8-oxo-7-(8-quinolinylhydrazinylidene)-2-naphthalenyl]hydrazinylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: disodium 4-[(4Z)-3-methyl-4-[[(7E)-6-oxidoperoxysulfanyl-8-oxo-7-(quinolin-8-ylhydrazinylidene)naphthalen-2-yl]hydrazinylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: disodium 4-[(4Z)-5-keto-4-[[(7E)-8-keto-6-(oxidoperoxythio)-7-(8-quinolylhydrazono)-2-naphthyl]hydrazono]-3-methyl-2-pyrazolin-1-yl]besylate Formula: C29H19N7Na2O8S2 MolecularWeight: 703.6128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC3=C(C=C2)C=C(C(=NNC4=CC=CC5=C4N=CC=C5)C3=O)SOO[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC=CC5=C4N=CC=C5)/C3=O)SOO[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C29H21N7O8S2.2Na/c1-16-25(29(38)36(35-16)20-9-11-21(12-10-20)46(40,41)42)33-31-19-8-7-18-14-24(45-44-43-39)27(28(37)22(18)15-19)34-32-23-6-2-4-17-5-3-13-30-26(17)23;;/h2-15,31-32,39H,1H3,(H,40,41,42);;/q;2*+1/p-2/b33-25-,34-27-;;