disodium 4-[6-[5-(4-oxidanidylperoxysulfanylphenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonate

Systemtic Name: disodium 4-[6-[5-(4-oxidanidylperoxysulfanylphenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonate Openeye Name: disodium 4-[6-[5-(4-oxidoperoxysulfanylphenyl)-1,2,4-triazin-3-yl]-3-pyridyl]benzenesulfonate CAS Name: disodium 4-[6-[5-[4-(oxidodioxythio)phenyl]-1,2,4-triazin-3-yl]-3-pyridinyl]benzenesulfonate IUPAC Name: disodium 4-[6-[5-(4-oxidoperoxysulfanylphenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonate Traditional Name: disodium 4-[6-[5-[4-(oxidoperoxythio)phenyl]-1,2,4-triazin-3-yl]-3-pyridyl]besylate Formula: C20H12N4Na2O6S2 MolecularWeight: 514.44202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=NC(=N2)C3=NC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CN=NC(=N2)C3=NC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C20H14N4O6S2.2Na/c25-29-30-31-16-6-1-14(2-7-16)19-12-22-24-20(23-19)18-10-5-15(11-21-18)13-3-8-17(9-4-13)32(26,27)28;;/h1-12,25H,(H,26,27,28);;/q;2*+1/p-2