diphenyl-(2,4,6-trimethylphenyl)sulfanium; 4-(trifluoromethyl)benzoate

Systemtic Name: diphenyl-(2,4,6-trimethylphenyl)sulfanium; 4-(trifluoromethyl)benzoate Openeye Name: diphenyl-(2,4,6-trimethylphenyl)sulfonium; 4-(trifluoromethyl)benzoate CAS Name: diphenyl-(2,4,6-trimethylphenyl)sulfonium; 4-(trifluoromethyl)benzoate IUPAC Name: diphenyl-(2,4,6-trimethylphenyl)sulfanium; 4-(trifluoromethyl)benzoate Traditional Name: mesityl(diphenyl)sulfonium; 4-(trifluoromethyl)benzoate Formula: C29H25F3O2S MolecularWeight: 494.56781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H21S.C8H5F3O2/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;9-8(10,11)6-3-1-5(2-4-6)7(12)13/h4-15H,1-3H3;1-4H,(H,12,13)/q+1;/p-1