3,5-bis(trifluoromethyl)benzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-tert-butylphenyl)-diphenyl-sulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-tert-butylphenyl)-diphenylsulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (4-tert-butylphenyl)-diphenylsulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; (4-tert-butylphenyl)-diphenyl-sulfonium Formula: C30H26F6O3S2 MolecularWeight: 612.646059

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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=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23S.C8H4F6O3S/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;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h4-17H,1-3H3;1-3H,(H,15,16,17)/q+1;/p-1