2,4-bis(fluoranyl)benzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium

Systemtic Name: 2,4-bis(fluoranyl)benzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium Openeye Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 2,4-difluorobenzenesulfonate CAS Name: 2,4-difluorobenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium IUPAC Name: 2,4-difluorobenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium Traditional Name: (4-tert-butoxyphenyl)-diphenyl-sulfonium; 2,4-difluorobesylate Formula: C28H26F2O4S2 MolecularWeight: 528.630446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23OS.C6H4F2O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;7-4-1-2-6(5(8)3-4)12(9,10)11/h4-17H,1-3H3;1-3H,(H,9,10,11)/q+1;/p-1