trisodium 4-oxidanidylperoxysulfanyl-3-[[4-[(4-oxidanidylperoxysulfanylphenyl)amino]phthalazin-1-yl]amino]benzenesulfonate

Systemtic Name: trisodium 4-oxidanidylperoxysulfanyl-3-[[4-[(4-oxidanidylperoxysulfanylphenyl)amino]phthalazin-1-yl]amino]benzenesulfonate Openeye Name: trisodium 4-oxidoperoxysulfanyl-3-[[4-(4-oxidoperoxysulfanylanilino)phthalazin-1-yl]amino]benzenesulfonate CAS Name: trisodium 4-(oxidodioxythio)-3-[[4-[4-(oxidodioxythio)anilino]-1-phthalazinyl]amino]benzenesulfonate IUPAC Name: trisodium 4-oxidoperoxysulfanyl-3-[[4-(4-oxidoperoxysulfanylanilino)phthalazin-1-yl]amino]benzenesulfonate Traditional Name: trisodium 4-(oxidoperoxythio)-3-[[4-[4-(oxidoperoxythio)anilino]phthalazin-1-yl]amino]besylate Formula: C20H13N4Na3O9S3 MolecularWeight: 618.50293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=C(C=CC(=C3)S(=O)(=O)[O-])SOO[O-])NC4=CC=C(C=C4)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=C(C=CC(=C3)S(=O)(=O)[O-])SOO[O-])NC4=CC=C(C=C4)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H16N4O9S3.3Na/c25-30-32-34-13-7-5-12(6-8-13)21-19-15-3-1-2-4-16(15)20(24-23-19)22-17-11-14(36(27,28)29)9-10-18(17)35-33-31-26;;;/h1-11,25-26H,(H,21,23)(H,22,24)(H,27,28,29);;;/q;3*+1/p-3