triphenylsulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: triphenylsulfanium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; triphenylsulfonium CAS Name: trifluoromethanesulfonate; triphenylsulfonium IUPAC Name: trifluoromethanesulfonate; triphenylsulfanium Traditional Name: triphenylsulfonium ditriflate Formula: C38H30F6O6S4 MolecularWeight: 824.891619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H15S.2CHF3O3S/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)8(5,6)7/h2*1-15H;2*(H,5,6,7)/q2*+1;;/p-2