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

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 2-iodanylethanesulfonate Openeye Name: sodium (2-methyl-4-oxidoperoxysulfanyl-phenyl) 2-iodoethanesulfonate CAS Name: sodium 2-iodoethanesulfonic acid [2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-methyl-4-oxidoperoxysulfanylphenyl) 2-iodoethanesulfonate Traditional Name: sodium 2-iodoethanesulfonic acid [2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C9H10INaO6S2 MolecularWeight: 428.19634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCI.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCI.[Na+]

InChI

InChI=1S/C9H11IO6S2.Na/c1-7-6-8(17-16-15-11)2-3-9(7)14-18(12,13)5-4-10;/h2-3,6,11H,4-5H2,1H3;/q;+1/p-1