(4-tert-butylphenyl)-diphenyl-sulfanium; 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2,4,5-trichlorobenzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 2,4,5-trichlorobenzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 2,4,5-trichlorobenzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 2,4,5-trichlorobesylate Formula: C28H25Cl3O3S2 MolecularWeight: 579.9853

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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=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23S.C6H3Cl3O3S/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;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h4-17H,1-3H3;1-2H,(H,10,11,12)/q+1;/p-1