bis(2,5-dimethylphenyl)-methyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(2,5-dimethylphenyl)-methyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(2,5-dimethylphenyl)-methyl-sulfonium; trifluoromethanesulfonate CAS Name: bis(2,5-dimethylphenyl)-methylsulfonium; trifluoromethanesulfonate IUPAC Name: bis(2,5-dimethylphenyl)-methylsulfanium; trifluoromethanesulfonate Traditional Name: bis(2,5-dimethylphenyl)-methyl-sulfonium triflate Formula: C18H21F3O3S2 MolecularWeight: 406.48275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21S.CHF3O3S/c1-12-6-8-14(3)16(10-12)18(5)17-11-13(2)7-9-15(17)4;2-1(3,4)8(5,6)7/h6-11H,1-5H3;(H,5,6,7)/q+1;/p-1