4-methylbenzenesulfonate; (3-methylphenyl)-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; (3-methylphenyl)-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; m-tolyl(phenyl)iodonium CAS Name: 4-methylbenzenesulfonate; (3-methylphenyl)-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; (3-methylphenyl)-phenyliodanium Traditional Name: m-tolyl(phenyl)iodonium tosylate Formula: C20H19IO3S MolecularWeight: 466.33253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I.C7H8O3S/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1