1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; (2-methoxyphenyl)-phenyl-iodanium

Systemtic Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; (2-methoxyphenyl)-phenyl-iodanium Openeye Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; (2-methoxyphenyl)-phenyl-iodonium CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate; (2-methoxyphenyl)-phenyliodonium IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; (2-methoxyphenyl)-phenyliodanium Traditional Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; (2-methoxyphenyl)-phenyl-iodonium Formula: C21H12F17IO4S MolecularWeight: 810.259904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[I+]C2=CC=CC=C2.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

COC1=CC=CC=C1[I+]C2=CC=CC=C2.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C13H12IO.C8HF17O3S/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h2-10H,1H3;(H,26,27,28)/q+1;/p-1