sodium (5-methyl-4-oxidanidylperoxysulfanyl-2-oxidanyl-phenyl) 2-iodanylethanesulfonate

Systemtic Name: sodium (5-methyl-4-oxidanidylperoxysulfanyl-2-oxidanyl-phenyl) 2-iodanylethanesulfonate Openeye Name: sodium (2-hydroxy-5-methyl-4-oxidoperoxysulfanyl-phenyl) 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [2-hydroxy-5-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-hydroxy-5-methyl-4-oxidoperoxysulfanylphenyl) 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [2-hydroxy-5-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C9H10INaO7S2 MolecularWeight: 444.19574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SOO[O-])O)OS(=O)(=O)CCI.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1SOO[O-])O)OS(=O)(=O)CCI.[Na+]

InChI

InChI=1S/C9H11IO7S2.Na/c1-6-4-8(15-19(13,14)3-2-10)7(11)5-9(6)18-17-16-12;/h4-5,11-12H,2-3H2,1H3;/q;+1/p-1