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Structure

Triphenylsulfonium trifluoromethanesulfonate

CAS
66003-78-9
Catalog Number
ACM66003789
Category
Polymer/Macromolecule
Molecular Weight
412.4g/mol
Molecular Formula
C19H15F3O3S2

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Specification

Synonyms
Sulfonium,triphenyl-,saltwithtrifluoro-methanesulfonicacid(1:1);TRIPHENYLSULPHONIUM TRIFLATE;TRIPHENYLSULFONIUM TRIFLATE;TRIPHENYLSULFONIUM TRIFLUOROMETHANESULFONATE;Triphenylsulfonium triflate,Triphenylsulfonium trifluoromethanesulfonate
IUPAC Name
trifluoromethanesulfonate;triphenylsulfanium
Canonical SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C18H15S.CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1
InChI Key
FAYMLNNRGCYLSR-UHFFFAOYSA-M
Complexity
346
Covalently-Bonded Unit Count
2
EC Number
432-340-4
Exact Mass
412.041471g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
27
Monoisotopic Mass
412.041471g/mol
Rotatable Bond Count
3

Upstream Synthesis Route 1

  • 1493-13-6
  • 139-66-2
  • 1864-94-4
  • 66003-78-9

Reference: [1]Journal of Organic Chemistry,1998,vol. 63,p. 7522 - 7524

Upstream Synthesis Route 2

  • 945-51-7
  • 66003-78-9

Reference: [1]Patent: US6111143,2000,A

Downstream Synthesis Route 1

  • 289-95-2
  • 66003-78-9
  • 3438-48-0
  • 139-66-2
  • 108-95-2

Reference: [1]Russian Journal of Organic Chemistry,1996,vol. 32,p. 265 - 269

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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