sodium 2-iodanylethyl 2-methyl-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: sodium 2-iodanylethyl 2-methyl-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: sodium 2-iodoethyl 2-methyl-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: sodium 2-methyl-4-(oxidodioxythio)benzenesulfonic acid 2-iodoethyl ester IUPAC Name: sodium 2-iodoethyl 2-methyl-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: sodium 2-methyl-4-(oxidoperoxythio)benzenesulfonic acid 2-iodoethyl ester Formula: C9H10INaO6S2 MolecularWeight: 428.19634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO[O-])S(=O)(=O)OCCI.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)SOO[O-])S(=O)(=O)OCCI.[Na+]

InChI

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