2-[4-[2-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[4-[2-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-[4-[1-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium; trifluoromethanesulfonate CAS Name: 2-[4-[2-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-[4-[2-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium; trifluoromethanesulfonate Traditional Name: 2-[4-[1-[4-(5,6-dihydro-4H-1,3-dithiin-1-ium-2-yl)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl]-5,6-dihydro-4H-1,3-dithiin-1-ium ditriflate Formula: C25H20F12O6S6 MolecularWeight: 836.793538

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[S+]C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=[S+]CCCS4)(C(F)(F)F)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CSC(=[S+]C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=[S+]CCCS4)(C(F)(F)F)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H20F6S4.2CHF3O3S/c24-22(25,26)21(23(27,28)29,17-7-3-15(4-8-17)19-30-11-1-12-31-19)18-9-5-16(6-10-18)20-32-13-2-14-33-20;2*2-1(3,4)8(5,6)7/h3-10H,1-2,11-14H2;2*(H,5,6,7)/q+2;;/p-2