bis(2-tert-butylphenyl)iodanium; 2,2,2-tris(fluoranyl)-1-phenyl-ethanesulfonate

Systemtic Name: bis(2-tert-butylphenyl)iodanium; 2,2,2-tris(fluoranyl)-1-phenyl-ethanesulfonate Openeye Name: bis(2-tert-butylphenyl)iodonium; 2,2,2-trifluoro-1-phenyl-ethanesulfonate CAS Name: bis(2-tert-butylphenyl)iodonium; 2,2,2-trifluoro-1-phenylethanesulfonate IUPAC Name: bis(2-tert-butylphenyl)iodanium; 2,2,2-trifluoro-1-phenylethanesulfonate Traditional Name: bis(2-tert-butylphenyl)iodonium; 2,2,2-trifluoro-1-phenyl-ethanesulfonate Formula: C28H32F3IO3S MolecularWeight: 632.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.C1=CC=C(C=C1)C(C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.C1=CC=C(C=C1)C(C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26I.C8H7F3O3S/c1-19(2,3)15-11-7-9-13-17(15)21-18-14-10-8-12-16(18)20(4,5)6;9-8(10,11)7(15(12,13)14)6-4-2-1-3-5-6/h7-14H,1-6H3;1-5,7H,(H,12,13,14)/q+1;/p-1