[2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl] 2-iodanyl-1-oxidanyl-ethanesulfonate

Systemtic Name: [2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl] 2-iodanyl-1-oxidanyl-ethanesulfonate Openeye Name: [2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl] 1-hydroxy-2-iodo-ethanesulfonate CAS Name: 1-hydroxy-2-iodoethanesulfonic acid [2,4-dimethyl-5-(trioxidanylthio)phenyl] ester IUPAC Name: [2,4-dimethyl-5-(trioxidanylsulfanyl)phenyl] 1-hydroxy-2-iodoethanesulfonate Traditional Name: 1-hydroxy-2-iodo-ethanesulfonic acid [2,4-dimethyl-5-(trioxidanylthio)phenyl] ester Formula: C10H13IO7S2 MolecularWeight: 436.24049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)C(CI)O)SOOO)C

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)C(CI)O)SOOO)C

InChI

InChI=1S/C10H13IO7S2/c1-6-3-7(2)9(19-18-17-13)4-8(6)16-20(14,15)10(12)5-11/h3-4,10,12-13H,5H2,1-2H3