[2-(dioxidanyl)-6-iodanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(dioxidanyl)-6-iodanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: (2-hydroperoxy-6-iodo-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroperoxy-6-iodophenyl) ester IUPAC Name: (2-hydroperoxy-6-iodophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroperoxy-6-iodo-phenyl) ester Formula: C13H11IO5S MolecularWeight: 406.19291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2I)OO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2I)OO

InChI

InChI=1S/C13H11IO5S/c1-9-5-7-10(8-6-9)20(16,17)19-13-11(14)3-2-4-12(13)18-15/h2-8,15H,1H3