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Substance Name: Iridium(1+), ((1,2,5,6-eta)-1,5-cyclooctadiene)((2-(diphenylphosphino-kappaP)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)
RN: 276672-81-2
InChIKey: KKYFEDKVIBRESE-ONEVTFJLSA-M

Molecular Formula

  • C41-H39-P3.C8-H12.C-F3-O3-S.Ir

Molecular Weight

  • 1074.1519
 
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Names and Synonyms

Synonym

  • (Ir(COD)(PPP))(OTf)

Systematic Name

  • Iridium(1+), ((1,2,5,6-eta)-1,5-cyclooctadiene)((2-(diphenylphosphino-kappaP)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 276672-81-2

System Generated Number

  • 0276672812

Molecular Formulas

Molecular Formula

  • C41-H39-P3.C8-H12.C-F3-O3-S.Ir

Molecular Formula Fragments

  • C-F3-O3-S
  • C41-H39-P3
  • C8-H12
  • COMPONENT
  • Ir

Structure Descriptors

InChI

1S/C41H39P3.C8H12.CHF3O3S.Ir/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2-31H,32-34H2,1H3;1-2,7-8H,3-6H2;(H,5,6,7);/q;;;+1/p-1/b;2-1-,8-7-;;

InChIKey

KKYFEDKVIBRESE-ONEVTFJLSA-M

Smiles

CC(CP(c1ccccc1)c2ccccc2)(CP(c3ccccc3)c4ccccc4)CP(c5ccccc5)c6ccccc6.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Ir+]