(3,5-dimethyl-4-oxidanyl-phenyl)-methyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)-methyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)-methyl-iodonium; trifluoromethanesulfonate CAS Name: (4-hydroxy-3,5-dimethylphenyl)-methyliodonium; trifluoromethanesulfonate IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)-methyliodanium; trifluoromethanesulfonate Traditional Name: (4-hydroxy-3,5-dimethyl-phenyl)-methyl-iodonium triflate Formula: C10H12F3IO4S MolecularWeight: 412.16456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[I+]C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[I+]C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11IO.CHF3O3S/c1-6-4-8(10-3)5-7(2)9(6)11;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)