sodium (5-oxidanidylperoxysulfanylpyridazin-3-yl) 2-iodanylethanesulfonate

Systemtic Name: sodium (5-oxidanidylperoxysulfanylpyridazin-3-yl) 2-iodanylethanesulfonate Openeye Name: sodium (5-oxidoperoxysulfanylpyridazin-3-yl) 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [5-(oxidodioxythio)-3-pyridazinyl] ester IUPAC Name: sodium (5-oxidoperoxysulfanylpyridazin-3-yl) 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [5-(oxidoperoxythio)pyridazin-3-yl] ester Formula: C6H6IN2NaO6S2 MolecularWeight: 416.14588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN=C1OS(=O)(=O)CCI)SOO[O-].[Na+]

Isomeric SMILES

C1=C(C=NN=C1OS(=O)(=O)CCI)SOO[O-].[Na+]

InChI

InChI=1S/C6H7IN2O6S2.Na/c7-1-2-17(11,12)13-6-3-5(4-8-9-6)16-15-14-10;/h3-4,10H,1-2H2;/q;+1/p-1