sodium (4-oxidanidylperoxysulfanylphenyl) 2-iodanylethanesulfonate

Systemtic Name: sodium (4-oxidanidylperoxysulfanylphenyl) 2-iodanylethanesulfonate Openeye Name: sodium (4-oxidoperoxysulfanylphenyl) 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (4-oxidoperoxysulfanylphenyl) 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [4-(oxidoperoxythio)phenyl] ester Formula: C8H8INaO6S2 MolecularWeight: 414.16976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9IO6S2.Na/c9-5-6-17(11,12)13-7-1-3-8(4-2-7)16-15-14-10;/h1-4,10H,5-6H2;/q;+1/p-1