[4,6-bis(iodanyl)-2-iodanyloxy-3-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4,6-bis(iodanyl)-2-iodanyloxy-3-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-4,6-diiodo-2-iodooxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-4,6-diiodo-2-iodooxyphenyl) ester IUPAC Name: (3-hydroxy-4,6-diiodo-2-iodooxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-4,6-diiodo-2-iodooxy-phenyl) ester Formula: C13H9I3O5S MolecularWeight: 657.98597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2OI)O)I)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2OI)O)I)I

InChI

InChI=1S/C13H9I3O5S/c1-7-2-4-8(5-3-7)22(18,19)21-12-10(15)6-9(14)11(17)13(12)20-16/h2-6,17H,1H3