[(4-bromophenyl)-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate

Systemtic Name: [(4-bromophenyl)-oxidanyl-$l^{3}-iodanyl] 4-methylbenzenesulfonate Openeye Name: [(4-bromophenyl)-hydroxy-$l^{3}-iodanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4-bromophenyl)-hydroxy-$l^{3}-iodanyl] ester IUPAC Name: [(4-bromophenyl)-hydroxy-$l^{3}-iodanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4-bromophenyl)-hydroxy-iodinanyl] ester Formula: C13H12BrIO4S MolecularWeight: 471.10545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H12BrIO4S/c1-10-2-8-13(9-3-10)20(17,18)19-15(16)12-6-4-11(14)5-7-12/h2-9,16H,1H3