1-benzofuran-2-yl(phenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: 1-benzofuran-2-yl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: benzofuran-2-yl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: 2-benzofuranyl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: 1-benzofuran-2-yl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: benzofuran-2-yl(phenyl)iodonium tosylate Formula: C21H17IO4S MolecularWeight: 492.32675

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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+]C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C14H10IO.C7H8O3S/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13(11)16-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1