bis[4-(trifluoromethyl)phenyl]iodanium; octane-1-sulfonate

Systemtic Name: bis[4-(trifluoromethyl)phenyl]iodanium; octane-1-sulfonate Openeye Name: bis[4-(trifluoromethyl)phenyl]iodonium; octane-1-sulfonate CAS Name: bis[4-(trifluoromethyl)phenyl]iodonium; 1-octanesulfonate IUPAC Name: bis[4-(trifluoromethyl)phenyl]iodanium; octane-1-sulfonate Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium; octane-1-sulfonate Formula: C22H25F6IO3S MolecularWeight: 610.391989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H8F6I.C8H18O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;1-2-3-4-5-6-7-8-12(9,10)11/h1-8H;2-8H2,1H3,(H,9,10,11)/q+1;/p-1