disodium 4-[[4-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)amino]phthalazin-1-yl]amino]benzenesulfonate

Systemtic Name: disodium 4-[[4-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)amino]phthalazin-1-yl]amino]benzenesulfonate Openeye Name: disodium 4-[[4-[(6-oxidoperoxysulfanyl-1-naphthyl)amino]phthalazin-1-yl]amino]benzenesulfonate CAS Name: disodium 4-[[4-[[6-(oxidodioxythio)-1-naphthalenyl]amino]-1-phthalazinyl]amino]benzenesulfonate IUPAC Name: disodium 4-[[4-[(6-oxidoperoxysulfanylnaphthalen-1-yl)amino]phthalazin-1-yl]amino]benzenesulfonate Traditional Name: disodium 4-[[4-[[6-(oxidoperoxythio)-1-naphthyl]amino]phthalazin-1-yl]amino]besylate Formula: C24H16N4Na2O6S2 MolecularWeight: 566.51658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=CC4=C3C=CC(=C4)SOO[O-])NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=CC4=C3C=CC(=C4)SOO[O-])NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H18N4O6S2.2Na/c29-33-34-35-17-10-13-19-15(14-17)4-3-7-22(19)26-24-21-6-2-1-5-20(21)23(27-28-24)25-16-8-11-18(12-9-16)36(30,31)32;;/h1-14,29H,(H,25,27)(H,26,28)(H,30,31,32);;/q;2*+1/p-2