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Substance Name: (Rh(NBD)(CF3PPP))(OTf)
RN: 204906-22-9
InChIKey: YJYGWZUURMSOPP-UHFFFAOYSA-M

Molecular Formula

  • C47-H33-F18-P3.C7-H8.C-F3-O3-S.Rh

Molecular Weight

  • 1376.7819
 
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Names and Synonyms

Results Name

  • (Rh(NBD)(CF3PPP))(OTf)

Synonym

  • (Rh(NBD)(CF3PPP))(OTf)

Systematic Name

  • Rhodium(1+), ((2,3,5,6-eta)-bicyclo(2.2.1)hepta-2,5-diene)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))-,stereoisomer, salt with trifluoromethanesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 204906-22-9

System Generated Number

  • 0204906229

Molecular Formulas

Molecular Formula

  • C47-H33-F18-P3.C7-H8.C-F3-O3-S.Rh

Molecular Formula Fragments

  • C-F3-O3-S
  • C47-H33-F18-P3
  • C7-H8
  • COMPONENT
  • Rh

Structure Descriptors

InChI

1S/C47H33F18P3.C7H8.CHF3O3S.Rh/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;1-2-7-4-3-6(1)5-7;2-1(3,4)8(5,6)7;/h2-25H,26-28H2,1H3;1-4,6-7H,5H2;(H,5,6,7);/q;;;+1/p-1

InChIKey

YJYGWZUURMSOPP-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.C1C2C=CC1C=C2.C(F)(F)(F)S(=O)(=O)[O-].[Rh+]