bis(4-tert-butylphenyl)-phenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)-phenyl-sulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)-phenyl-sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)-phenylsulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)-phenylsulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)-phenyl-sulfonium; 4-(trifluoromethyl)besylate Formula: C33H35F3O3S2 MolecularWeight: 600.75441

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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=C(C=C3)C(C)(C)C.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H31S.C7H5F3O3S/c1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h7-19H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1