sodium (2,6-dimethyl-4-oxidanidylperoxysulfanyl-phenyl) 2-iodanylethanesulfonate

Systemtic Name: sodium (2,6-dimethyl-4-oxidanidylperoxysulfanyl-phenyl) 2-iodanylethanesulfonate Openeye Name: sodium (2,6-dimethyl-4-oxidoperoxysulfanyl-phenyl) 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [2,6-dimethyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2,6-dimethyl-4-oxidoperoxysulfanylphenyl) 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [2,6-dimethyl-4-(oxidoperoxythio)phenyl] ester Formula: C10H12INaO6S2 MolecularWeight: 442.22292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)CCI)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)CCI)C)SOO[O-].[Na+]

InChI

InChI=1S/C10H13IO6S2.Na/c1-7-5-9(18-17-16-12)6-8(2)10(7)15-19(13,14)4-3-11;/h5-6,12H,3-4H2,1-2H3;/q;+1/p-1