bis(4-bromophenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis(4-bromophenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: bis(4-bromophenyl)iodonium; 4-methylbenzenesulfonate CAS Name: bis(4-bromophenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-bromophenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: bis(4-bromophenyl)iodonium tosylate Formula: C19H15Br2IO3S MolecularWeight: 610.09807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H8Br2I.C7H8O3S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)/q+1;/p-1