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

Systemtic Name: (3-fluoranyl-4-phenyl-phenyl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (3-fluoro-4-phenyl-phenyl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (3-fluoro-4-phenylphenyl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (3-fluoro-4-phenylphenyl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (3-fluoro-4-phenyl-phenyl)-phenyl-iodonium tosylate Formula: C25H20FIO3S MolecularWeight: 546.392373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=C(C=C2)[I+]C3=CC=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=C(C=C2)[I+]C3=CC=CC=C3)F

InChI

InChI=1S/C18H13FI.C7H8O3S/c19-18-13-16(20-15-9-5-2-6-10-15)11-12-17(18)14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-13H;2-5H,1H3,(H,8,9,10)/q+1;/p-1