(4-fluoranyl-3-methyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: (4-fluoranyl-3-methyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (4-fluoro-3-methyl-phenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (4-fluoro-3-methylphenyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (4-fluoro-3-methylphenyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (4-fluoro-3-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=CC(=C1)[I+]C2=CC=CC=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C13H11FI.C7H8O3S/c1-10-9-12(7-8-13(10)14)15-11-5-3-2-4-6-11;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