diphenylsulfanium; 1,3,5-trimethylbenzene; tris(fluoranyl)methanesulfonate

Systemtic Name: diphenylsulfanium; 1,3,5-trimethylbenzene; tris(fluoranyl)methanesulfonate Openeye Name: diphenylsulfonium; mesitylene; trifluoromethanesulfonate CAS Name: diphenylsulfonium; trifluoromethanesulfonate; 1,3,5-trimethylbenzene IUPAC Name: diphenylsulfanium; trifluoromethanesulfonate; 1,3,5-trimethylbenzene Traditional Name: diphenylsulfonium; mesitylene; triflate Formula: C22H23F3O3S2 MolecularWeight: 456.54143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H10S.C9H12.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4-8(2)6-9(3)5-7;2-1(3,4)8(5,6)7/h1-10H;4-6H,1-3H3;(H,5,6,7)