3,5-bis(trifluoromethyl)benzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (9-oxoxanthen-2-yl)-diphenyl-sulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (9-oxo-2-xanthenyl)-diphenylsulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (9-oxoxanthen-2-yl)-diphenylsulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; (9-ketoxanthen-2-yl)-diphenyl-sulfonium Formula: C33H20F6O5S2 MolecularWeight: 674.629319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C25H17O2S.C8H4F6O3S/c26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-17H;1-3H,(H,15,16,17)/q+1;/p-1