(5-fluoranyl-2-methyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: (5-fluoranyl-2-methyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (5-fluoro-2-methyl-phenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (5-fluoro-2-methylphenyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (5-fluoro-2-methylphenyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (5-fluoro-2-methyl-phenyl)-phenyl-iodonium tosylate Formula: C20H18FIO3S MolecularWeight: 484.322993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FI.C7H8O3S/c1-10-7-8-11(14)9-13(10)15-12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1