bis(4-ethylphenyl)iodanium; 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: bis(4-ethylphenyl)iodanium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: bis(4-ethylphenyl)iodonium; 2,4,5-trichlorobenzenesulfonate CAS Name: bis(4-ethylphenyl)iodonium; 2,4,5-trichlorobenzenesulfonate IUPAC Name: bis(4-ethylphenyl)iodanium; 2,4,5-trichlorobenzenesulfonate Traditional Name: bis(4-ethylphenyl)iodonium; 2,4,5-trichlorobesylate Formula: C22H20Cl3IO3S MolecularWeight: 597.72087

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18I.C6H3Cl3O3S/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h5-12H,3-4H2,1-2H3;1-2H,(H,10,11,12)/q+1;/p-1