diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium; 2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate

Systemtic Name: diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium; 2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate Openeye Name: diphenyl-[2,4,6-tris(2-tert-butoxy-2-oxo-ethoxy)phenyl]sulfonium; 2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate CAS Name: diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfonium; 2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate IUPAC Name: diphenyl-[2,4,6-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium; 2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate Traditional Name: diphenyl-[2,4,6-tris(2-tert-butoxy-2-keto-ethoxy)phenyl]sulfonium; 2,3,4,5,6-pentakis(trifluoromethyl)besylate Formula: C47H45F15O12S2 MolecularWeight: 1150.959048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC(=C(C(=C1)OCC(=O)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OCC(=O)OC(C)(C)C.C1(=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC(=C(C(=C1)OCC(=O)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OCC(=O)OC(C)(C)C.C1(=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C36H45O9S.C11HF15O3S/c1-34(2,3)43-30(37)22-40-25-20-28(41-23-31(38)44-35(4,5)6)33(29(21-25)42-24-32(39)45-36(7,8)9)46(26-16-12-10-13-17-26)27-18-14-11-15-19-27;12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(30(27,28)29)5(11(24,25)26)3(1)9(18,19)20/h10-21H,22-24H2,1-9H3;(H,27,28,29)/q+1;/p-1