2,3-dihydro-1-benzofuran-5-yl(phenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: 2,3-dihydro-1-benzofuran-5-yl(phenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: 2,3-dihydrobenzofuran-5-yl(phenyl)iodonium; 4-methylbenzenesulfonate CAS Name: 2,3-dihydrobenzofuran-5-yl(phenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: 2,3-dihydro-1-benzofuran-5-yl(phenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: coumaran-5-yl(phenyl)iodonium tosylate Formula: C21H19IO4S MolecularWeight: 494.34263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=C1C=C(C=C2)[I+]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC2=C1C=C(C=C2)[I+]C3=CC=CC=C3

InChI

InChI=1S/C14H12IO.C7H8O3S/c1-2-4-12(5-3-1)15-13-6-7-14-11(10-13)8-9-16-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,10H,8-9H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1