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Substance Name: Iridium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphinekappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)
RN: 207747-21-5
InChIKey: YBLDZYZJKURLKW-UHFFFAOYSA-M

Molecular Formula

  • C47-H33-F18-P3.C-F3-O3-S.2C-O.Ir

Molecular Weight

  • 1429.9717
 
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Names and Synonyms

  • Iridium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphinekappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 207747-21-5

System Generated Number

  • 0207747215

Molecular Formulas

Molecular Formula

  • C47-H33-F18-P3.C-F3-O3-S.2C-O.Ir

Molecular Formula Fragments

  • C-F3-O3-S
  • C-O
  • C47-H33-F18-P3
  • COMPONENT
  • Ir

Structure Descriptors

InChI

1S/C47H33F18P3.CHF3O3S.2CO.Ir/c1-41(26-66(35-14-2-8-29(20-35)42(48,49)50)36-15-3-9-30(21-36)43(51,52)53,27-67(37-16-4-10-31(22-37)44(54,55)56)38-17-5-11-32(23-38)45(57,58)59)28-68(39-18-6-12-33(24-39)46(60,61)62)40-19-7-13-34(25-40)47(63,64)65;2-1(3,4)8(5,6)7;2*1-2;/h2-25H,26-28H2,1H3;(H,5,6,7);;;/q;;;;+1/p-1

InChIKey

YBLDZYZJKURLKW-UHFFFAOYSA-M

Smiles

CC(CP(c1cccc(c1)C(F)(F)F)c2cccc(c2)C(F)(F)F)(CP(c3cccc(c3)C(F)(F)F)c4cccc(c4)C(F)(F)F)CP(c5cccc(c5)C(F)(F)F)c6cccc(c6)C(F)(F)F.[C-]#[O+].[C-]#[O+].C(F)(F)(F)S(=O)(=O)[O-].[Ir+]