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

Systemtic Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 2-iodanylethanesulfonate Openeye Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 2-iodoethanesulfonate CAS Name: 2-iodoethanesulfonic acid [3-methyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3-methyl-4-(trioxidanylsulfanyl)phenyl] 2-iodoethanesulfonate Traditional Name: 2-iodoethanesulfonic acid [3-methyl-4-(trioxidanylthio)phenyl] ester Formula: C9H11IO6S2 MolecularWeight: 406.21451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)CCI)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)CCI)SOOO

InChI

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