sodium (2,4-dimethyl-5-oxidanidylperoxysulfanyl-phenyl) 2-iodanyl-1-oxidanyl-ethanesulfonate

Systemtic Name: sodium (2,4-dimethyl-5-oxidanidylperoxysulfanyl-phenyl) 2-iodanyl-1-oxidanyl-ethanesulfonate Openeye Name: sodium (2,4-dimethyl-5-oxidoperoxysulfanyl-phenyl) 1-hydroxy-2-iodo-ethanesulfonate CAS Name: sodium 1-hydroxy-2-iodoethanesulfonic acid [2,4-dimethyl-5-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2,4-dimethyl-5-oxidoperoxysulfanylphenyl) 1-hydroxy-2-iodoethanesulfonate Traditional Name: sodium 1-hydroxy-2-iodo-ethanesulfonic acid [2,4-dimethyl-5-(oxidoperoxythio)phenyl] ester Formula: C10H12INaO7S2 MolecularWeight: 458.22232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13IO7S2.Na/c1-6-3-7(2)9(19-18-17-13)4-8(6)16-20(14,15)10(12)5-11;/h3-4,10,12-13H,5H2,1-2H3;/q;+1/p-1