2,4-bis(fluoranyl)benzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfanium

Systemtic Name: 2,4-bis(fluoranyl)benzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfanium Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2,4-difluorobenzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 2,4-difluorobenzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 2,4-difluorobenzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2,4-difluorobesylate Formula: C28H26F2O3S2 MolecularWeight: 512.631046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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)C1=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/C22H23S.C6H4F2O3S/c1-22(2,3)18-14-16-21(17-15-18)23(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