1-tert-butyl-2-iodanyl-benzene; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-tert-butyl-2-iodanyl-benzene; tris(fluoranyl)methanesulfonate Openeye Name: 1-tert-butyl-2-iodo-benzene; trifluoromethanesulfonate CAS Name: 1-tert-butyl-2-iodobenzene; trifluoromethanesulfonate IUPAC Name: 1-tert-butyl-2-iodobenzene; trifluoromethanesulfonate Traditional Name: 1-tert-butyl-2-iodo-benzene triflate Formula: C11H13F3IO3S- MolecularWeight: 409.1838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13I.CHF3O3S/c1-10(2,3)8-6-4-5-7-9(8)11;2-1(3,4)8(5,6)7/h4-7H,1-3H3;(H,5,6,7)/p-1