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Substance Name: (Ru(MeCN)3(CF3PPP))(OTf)2
RN: 207747-34-0
InChIKey: YHWMLYKGIRHYQY-UHFFFAOYSA-L

Molecular Formula

  • C47-H33-F18-P3.3(C2-H3-N).2(C-F3-O3-S).Ru

Molecular Weight

  • 1555.0278
 
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Names and Synonyms

Results Name

  • (Ru(MeCN)3(CF3PPP))(OTf)2

Synonym

  • (Ru(MeCN)3(CF3PPP))(OTf)2

Systematic Name

  • Ruthenium(2+), tris(acetonitrile)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 207747-34-0

System Generated Number

  • 0207747340

Molecular Formulas

Molecular Formula

  • C47-H33-F18-P3.3(C2-H3-N).2(C-F3-O3-S).Ru

Molecular Formula Fragments

  • C-F3-O3-S
  • C2-H3-N
  • C47-H33-F18-P3
  • COMPONENT
  • Ru

Structure Descriptors

InChI

1S/C47H33F18P3.3C2H3N.2CHF3O3S.Ru/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;3*1-2-3;2*2-1(3,4)8(5,6)7;/h2-25H,26-28H2,1H3;3*1H3;2*(H,5,6,7);/q;;;;;;+2/p-2

InChIKey

YHWMLYKGIRHYQY-UHFFFAOYSA-L

Smiles

CC#N.CC#N.CC#N.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(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]