2,4-bis(trifluoromethyl)benzenesulfonate; [2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-diphenyl-sulfanium

Systemtic Name: 2,4-bis(trifluoromethyl)benzenesulfonate; [2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-diphenyl-sulfanium Openeye Name: 2,4-bis(trifluoromethyl)benzenesulfonate; [4-(2-tert-butoxy-2-oxo-ethoxy)-2,6-dimethyl-phenyl]-diphenyl-sulfonium CAS Name: 2,4-bis(trifluoromethyl)benzenesulfonate; [2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfonium IUPAC Name: 2,4-bis(trifluoromethyl)benzenesulfonate; [2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium Traditional Name: 2,4-bis(trifluoromethyl)besylate; [4-(2-tert-butoxy-2-keto-ethoxy)-2,6-dimethyl-phenyl]-diphenyl-sulfonium Formula: C34H32F6O6S2 MolecularWeight: 714.734699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3)C)OCC(=O)OC(C)(C)C.C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3)C)OCC(=O)OC(C)(C)C.C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H29O3S.C8H4F6O3S/c1-19-16-21(28-18-24(27)29-26(3,4)5)17-20(2)25(19)30(22-12-8-6-9-13-22)23-14-10-7-11-15-23;9-7(10,11)4-1-2-6(18(15,16)17)5(3-4)8(12,13)14/h6-17H,18H2,1-5H3;1-3H,(H,15,16,17)/q+1;/p-1