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

Systemtic Name: bis(4-methoxyphenyl)-phenyl-sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate Openeye Name: bis(4-methoxyphenyl)-phenyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: bis(4-methoxyphenyl)-phenylsulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate IUPAC Name: bis(4-methoxyphenyl)-phenylsulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: bis(4-methoxyphenyl)-phenyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C28H19F17O5S2 MolecularWeight: 822.550314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC.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=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC.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/C20H19O2S.C8HF17O3S/c1-21-16-8-12-19(13-9-16)23(18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20;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/h3-15H,1-2H3;(H,26,27,28)/q+1;/p-1