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

Systemtic Name: (3-methoxyphenyl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (3-methoxyphenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (3-methoxyphenyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (3-methoxyphenyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (3-methoxyphenyl)-phenyl-iodonium tosylate Formula: C20H19IO4S MolecularWeight: 482.33193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=CC=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=CC=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C13H12IO.C7H8O3S/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;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