[3-(dioxidanylmethyl)-4-methyl-phenyl] 2-iodanylethanesulfonate

Systemtic Name: [3-(dioxidanylmethyl)-4-methyl-phenyl] 2-iodanylethanesulfonate Openeye Name: [3-(hydroperoxymethyl)-4-methyl-phenyl] 2-iodoethanesulfonate CAS Name: 2-iodoethanesulfonic acid [3-(hydroperoxymethyl)-4-methylphenyl] ester IUPAC Name: [3-(hydroperoxymethyl)-4-methylphenyl] 2-iodoethanesulfonate Traditional Name: 2-iodoethanesulfonic acid [3-(hydroperoxymethyl)-4-methyl-phenyl] ester Formula: C10H13IO5S MolecularWeight: 372.17669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OS(=O)(=O)CCI)COO

Isomeric SMILES

CC1=C(C=C(C=C1)OS(=O)(=O)CCI)COO

InChI

InChI=1S/C10H13IO5S/c1-8-2-3-10(6-9(8)7-15-12)16-17(13,14)5-4-11/h2-3,6,12H,4-5,7H2,1H3