[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-fluoranylbenzenesulfonate

Systemtic Name: [2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 4-fluoranylbenzenesulfonate Openeye Name: (4-tert-butoxy-2,6-dimethyl-phenyl)-diphenyl-sulfonium; 4-fluorobenzenesulfonate CAS Name: [2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium; 4-fluorobenzenesulfonate IUPAC Name: [2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium; 4-fluorobenzenesulfonate Traditional Name: (4-tert-butoxy-2,6-dimethyl-phenyl)-diphenyl-sulfonium; 4-fluorobesylate Formula: C30H31FO4S2 MolecularWeight: 538.693143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3)C)OC(C)(C)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3)C)OC(C)(C)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H27OS.C6H5FO3S/c1-18-16-20(25-24(3,4)5)17-19(2)23(18)26(21-12-8-6-9-13-21)22-14-10-7-11-15-22;7-5-1-3-6(4-2-5)11(8,9)10/h6-17H,1-5H3;1-4H,(H,8,9,10)/q+1;/p-1