Molecule:100760: Difference between revisions

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{{Molecule
{{Molecule
|abbrev=[Re(bpy)2(CO)2][OTf]
|abbrev=[Re(bpy)2(CO)2][OTf]
|molecular_role=catalyst
|molecularFormula=C<sub>23</sub>H<sub>16</sub>F<sub>3</sub>N<sub>4</sub>O<sub>5</sub>ReS
|molecularFormula=C<sub>23</sub>H<sub>16</sub>F<sub>3</sub>N<sub>4</sub>O<sub>5</sub>ReS
|molecularMass=704.035103372
|molecularMass=704.035103372
|moleculeKey=SQEHJZNRDJMTCB-UHFFFAOYSA-M
|moleculeKey=SQEHJZNRDJMTCB-UHFFFAOYSA-M
|molOrRxn=
|molOrRxn=-INDIGO-05192310272D
  -INDIGO-01112413272D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
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M  V30 29 O 10.4321 -5.475 0.0 0 CHG=1
M  V30 29 O 10.4321 -5.475 0.0 0 CHG=1
M  V30 30 S 14.2464 -6.03834 0.0 0
M  V30 30 S 14.2464 -6.03834 0.0 0
M  V30 31 O 15.1125 -5.53834 0.0 0 CHG=-1
M  V30 31 O 15.1125 -5.53834 0.0 0
M  V30 32 O 14.7464 -6.90437 0.0 0
M  V30 32 O 14.7464 -6.90437 0.0 0
M  V30 33 O 13.3804 -6.53834 0.0 0
M  V30 33 O 13.3804 -6.53834 0.0 0 CHG=-1
M  V30 34 C 13.7464 -5.17232 0.0 0
M  V30 34 C 13.7464 -5.17232 0.0 0
M  V30 35 F 14.5786 -4.66521 0.0 0
M  V30 35 F 14.4536 -4.46521 0.0 0
M  V30 36 F 13.2464 -4.30629 0.0 0
M  V30 36 F 13.2464 -4.30629 0.0 0
M  V30 37 F 12.8804 -5.67232 0.0 0
M  V30 37 F 12.8804 -5.67232 0.0 0
Line 84: Line 84:
M  V30 33 3 26 28
M  V30 33 3 26 28
M  V30 34 3 27 29
M  V30 34 3 27 29
M  V30 35 1 30 31
M  V30 35 2 30 31
M  V30 36 2 30 32
M  V30 36 2 30 32
M  V30 37 2 30 33
M  V30 37 1 30 33
M  V30 38 1 30 34
M  V30 38 1 30 34
M  V30 39 1 34 35
M  V30 39 1 34 35
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M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
 
|smiles=C1C=C2C3C=CC=CN=3[Re+]([C-]#[O+])([C-]#[O+])3(N4C=CC=CC=4C4N3=CC=CC=4)N2=CC=1.S(C(F)(F)F)([O-])(=O)=O
|smiles=C1C=C2C3C=CC=CN=3[Re+]([C-]#[O+])([C-]#[O+])3(N4C=CC=CC=4C4N3=CC=CC=4)N2=CC=1.S(C(F)(F)F)(=O)(=O)[O-]
|inchi=1S/2C10H8N2.CHF3O3S.2CO.Re/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;2*1-2;/h2*1-8H;(H,5,6,7);;;/q;;;;;+1/p-1
|inchi=1S/2C10H8N2.CHF3O3S.2CO.Re/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;2*1-2;/h2*1-8H;(H,5,6,7);;;/q;;;;;+1/p-1
|inchikey=SQEHJZNRDJMTCB-UHFFFAOYSA-M
|inchikey=SQEHJZNRDJMTCB-UHFFFAOYSA-M
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|height=200px
|height=200px
|float=none
|float=none
|trivialname=
|synonyms=
|hasVendors=
|parent=
}}
}}

Latest revision as of 14:14, 6 September 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation [Re(bpy)2(CO)2][OTf]
Trivialname n/a
Exact mass 704.035103372
Molecular formula C23H16F3N4O5ReS
LogP n/a
Has vendors n/a
Molecular role catalyst
Synonyms n/a

[Re(bpy)2(CO)2][OTf]


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