(4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-diphenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C28H25F3O4S2 MolecularWeight: 546.62091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21OS.C7H5F3O3S/c1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h4-15H,1-3H3;1-4H,(H,11,12,13)/q+1;/p-1