2-(4-fluorophenyl)ethynyl-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(4-fluorophenyl)ethynyl-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: 2-(4-fluorophenyl)ethynyl-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: 2-(4-fluorophenyl)ethynyl-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: 2-(4-fluorophenyl)ethynyl-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: 2-(4-fluorophenyl)ethynyl-phenyl-iodonium tosylate Formula: C21H16FIO3S MolecularWeight: 494.317813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C#CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H9FI.C7H8O3S/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H;2-5H,1H3,(H,8,9,10)/q+1;/p-1