(4-methoxyphenyl)-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: (4-methoxyphenyl)-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: (4-methoxyphenyl)-(p-tolyl)iodonium; 4-methylbenzenesulfonate CAS Name: (4-methoxyphenyl)-(4-methylphenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: (4-methoxyphenyl)-(4-methylphenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: (4-methoxyphenyl)-(p-tolyl)iodonium tosylate Formula: C21H21IO4S MolecularWeight: 496.35851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14IO.C7H8O3S/c1-11-3-5-12(6-4-11)15-13-7-9-14(16-2)10-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1