trisodium 5-[[5-[(4-oxidanidylperoxysulfanylphenyl)amino]pyrazin-2-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: trisodium 5-[[5-[(4-oxidanidylperoxysulfanylphenyl)amino]pyrazin-2-yl]amino]benzene-1,3-dicarboxylate Openeye Name: trisodium 5-[[5-(4-oxidoperoxysulfanylanilino)pyrazin-2-yl]amino]benzene-1,3-dicarboxylate CAS Name: trisodium 5-[[5-[4-(oxidodioxythio)anilino]-2-pyrazinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: trisodium 5-[[5-(4-oxidoperoxysulfanylanilino)pyrazin-2-yl]amino]benzene-1,3-dicarboxylate Traditional Name: trisodium 5-[[5-[4-(oxidoperoxythio)anilino]pyrazin-2-yl]amino]isophthalate Formula: C18H11N4Na3O7S MolecularWeight: 496.33685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CN=C(C=N2)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=CN=C(C=N2)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H14N4O7S.3Na/c23-17(24)10-5-11(18(25)26)7-13(6-10)22-16-9-19-15(8-20-16)21-12-1-3-14(4-2-12)30-29-28-27;;;/h1-9,27H,(H,19,21)(H,20,22)(H,23,24)(H,25,26);;;/q;3*+1/p-3