(3-diphenylsulfonioazulen-1-yl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-diphenylsulfonioazulen-1-yl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-diphenylsulfonioazulen-1-yl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: (3-diphenylsulfonio-1-azulenyl)-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (3-diphenylsulfonioazulen-1-yl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (3-diphenylsulfonioazulen-1-yl)-diphenyl-sulfonium ditriflate Formula: C36H26F6O6S4 MolecularWeight: 796.838459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC(=C4C3=CC=CC=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.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(=C4C3=CC=CC=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C34H26S2.2CHF3O3S/c1-6-16-27(17-7-1)35(28-18-8-2-9-19-28)33-26-34(32-25-15-5-14-24-31(32)33)36(29-20-10-3-11-21-29)30-22-12-4-13-23-30;2*2-1(3,4)8(5,6)7/h1-26H;2*(H,5,6,7)/q+2;;/p-2