Molecule:100875: Difference between revisions

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{{Molecule
{{Molecule
|abbrev=[Mn(dtBubpy)(CO)3(MeCN)][PF6]
|trivialname=
|trivialname=
|abbrev=
|molecularFormula=C<sub>23</sub>H<sub>27</sub>F<sub>6</sub>MnN<sub>3</sub>O<sub>3</sub>P
|molecularFormula=C<sub>23</sub>H<sub>30</sub>MnN<sub>3</sub>O<sub>3</sub>+
|molecularMass=593.107467774
|molecularMass=451.16621334009
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=OMERWMHUIAGAOR-UHFFFAOYSA-N
|moleculeKey=OMERWMHUIAGAOR-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-02192415082D
   -INDIGO-02192415212D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 14: Line 14:
M  V30 COUNTS 37 38 0 0 0
M  V30 COUNTS 37 38 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 5.33485 -3.22507 0.0 0
M  V30 1 F 11.8253 -4.67831 0.0 0
M  V30 2 C 7.06515 -3.22459 0.0 0
M  V30 2 P 12.6827 -4.19071 0.0 0 CHG=-1 VAL=6
M  V30 3 C 6.20164 -2.72497 0.0 0
M  V30 3 F 12.6945 -5.18061 0.0 0
M  V30 4 N 7.06515 -4.22553 0.0 0
M  V30 4 F 13.5447 -4.67885 0.0 0
M  V30 5 C 5.33485 -4.23002 0.0 0
M  V30 5 F 12.6888 -3.2002 0.0 0
M  V30 6 C 6.20382 -4.72503 0.0 0
M  V30 6 F 13.541 -3.69224 0.0 0
M  V30 7 C 6.20382 -5.72503 0.0 0
M  V30 7 F 11.8296 -3.68535 0.0 0
M  V30 8 C 7.0704 -7.22269 0.0 0
M  V30 8 C 5.27521 -4.13902 0.0 0
M  V30 9 N 7.07066 -6.22506 0.0 0
M  V30 9 C 6.98617 -4.13854 0.0 0
M  V30 10 C 6.20389 -7.72375 0.0 0
M  V30 10 C 6.13231 -3.64451 0.0 0
M  V30 11 C 5.33385 -6.22809 0.0 0
M  V30 11 N 6.98617 -5.12829 0.0 0
M  V30 12 C 5.34031 -7.22814 0.0 0
M  V30 12 C 5.27521 -5.13273 0.0 0
M  V30 13 C 4.46882 -2.72507 0.0 0
M  V30 13 C 6.13447 -5.62221 0.0 0
M  V30 14 C 3.6028 -2.22507 0.0 0
M  V30 14 C 6.13447 -6.61103 0.0 0
M  V30 15 C 4.47429 -7.72814 0.0 0
M  V30 15 C 6.99136 -8.09195 0.0 0
M  V30 16 C 3.60826 -8.22814 0.0 0
M  V30 16 N 6.99162 -7.10547 0.0 0
M  V30 17 Mn 7.975 -5.2 0.0 0 CHG=1
M  V30 17 C 6.13453 -8.5874 0.0 0
M  V30 18 N 7.975 -3.875 0.0 0
M  V30 18 C 5.27422 -7.10846 0.0 0
M  V30 19 C 9.29102 -4.45 0.0 0 CHG=-1
M  V30 19 C 5.28061 -8.09733 0.0 0
M  V30 20 C 9.26602 -5.9 0.0 0 CHG=-1
M  V30 20 C 4.41886 -3.64461 0.0 0
M  V30 21 C 8.00882 -6.39093 0.0 0 CHG=-1
M  V30 21 C 3.56252 -3.1502 0.0 0
M  V30 22 C 7.975 -2.875 0.0 0
M  V30 22 C 4.42427 -8.59174 0.0 0
M  V30 23 C 7.975 -1.875 0.0 0
M  V30 23 C 3.56792 -9.08615 0.0 0
M  V30 24 O 10.1571 -3.95 0.0 0 CHG=1
M  V30 24 Mn 8.13836 -6.06687 0.0 0 CHG=1
M  V30 25 O 10.132 -6.4 0.0 0 CHG=1
M  V30 25 N 8.13836 -5.07805 0.0 0
M  V30 26 O 8.00882 -7.39092 0.0 0 CHG=1
M  V30 26 C 8.9947 -5.57246 0.0 0 CHG=-1
M  V30 27 C 4.46882 -1.72507 0.0 0
M  V30 27 C 8.9947 -6.56128 0.0 0 CHG=-1
M  V30 28 C 3.60279 -3.22507 0.0 0
M  V30 28 C 8.39429 -7.02199 0.0 0 CHG=-1
M  V30 29 C 3.60826 -7.22814 0.0 0
M  V30 29 C 8.13836 -4.08923 0.0 0
M  V30 30 C 4.47429 -8.72814 0.0 0
M  V30 30 C 8.13836 -3.10041 0.0 0
M  V30 31 P 12.567 -3.5 0.0 0 CHG=-1
M  V30 31 O 9.85105 -5.07805 0.0 0 CHG=1
M  V30 32 F 13.433 -3.0 0.0 0
M  V30 32 O 9.85105 -7.05569 0.0 0 CHG=1
M  V30 33 F 11.701 -3.0 0.0 0
M  V30 33 O 8.65021 -7.97712 0.0 0 CHG=1
M  V30 34 F 12.567 -4.5 0.0 0
M  V30 34 C 4.41886 -2.64461 0.0 0
M  V30 35 F 13.433 -4.0 0.0 0
M  V30 35 C 3.55284 -4.14461 0.0 0
M  V30 36 F 12.567 -2.5 0.0 0
M  V30 36 C 4.42427 -9.59174 0.0 0
M  V30 37 F 11.701 -4.0 0.0 0
M  V30 37 C 3.55825 -8.09174 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 1 1 1 2
M  V30 2 2 4 2
M  V30 2 1 2 3
M  V30 3 1 1 5
M  V30 3 1 2 4
M  V30 4 1 2 3
M  V30 4 1 2 5
M  V30 5 2 5 6
M  V30 5 1 2 6
M  V30 6 1 6 4
M  V30 6 1 2 7
M  V30 7 1 6 7
M  V30 7 2 10 8
M  V30 8 2 9 7
M  V30 8 2 11 9
M  V30 9 2 10 8
M  V30 9 1 8 12
M  V30 10 1 7 11
M  V30 10 1 9 10
M  V30 11 1 8 9
M  V30 11 2 12 13
M  V30 12 2 11 12
M  V30 12 1 13 11
M  V30 13 1 12 10
M  V30 13 1 13 14
M  V30 14 1 1 13
M  V30 14 2 16 14
M  V30 15 1 13 14
M  V30 15 2 17 15
M  V30 16 1 12 15
M  V30 16 1 14 18
M  V30 17 1 15 16
M  V30 17 1 15 16
M  V30 18 10 4 17
M  V30 18 2 18 19
M  V30 19 10 9 17
M  V30 19 1 19 17
M  V30 20 10 17 18
M  V30 20 1 8 20
M  V30 21 10 17 19
M  V30 21 1 20 21
M  V30 22 10 17 20
M  V30 22 1 19 22
M  V30 23 10 17 21
M  V30 23 1 22 23
M  V30 24 3 18 22
M  V30 24 10 11 24
M  V30 25 1 22 23
M  V30 25 10 16 24
M  V30 26 3 19 24
M  V30 26 10 24 25
M  V30 27 3 20 25
M  V30 27 10 24 26
M  V30 28 3 21 26
M  V30 28 10 24 27
M  V30 29 1 13 27
M  V30 29 10 24 28
M  V30 30 1 13 28
M  V30 30 3 25 29
M  V30 31 1 15 29
M  V30 31 1 29 30
M  V30 32 1 15 30
M  V30 32 3 26 31
M  V30 33 1 31 32
M  V30 33 3 27 32
M  V30 34 1 31 33
M  V30 34 3 28 33
M  V30 35 1 31 34
M  V30 35 1 20 34
M  V30 36 1 31 35
M  V30 36 1 20 35
M  V30 37 1 31 36
M  V30 37 1 22 36
M  V30 38 1 31 37
M  V30 38 1 22 37
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
 
|smiles=C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.F[P-](F)(F)(F)(F)F
|smiles=C(C(C)(C)C)1C=C2C3C=C(C(C)(C)C)C=CN=3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N2=CC=1.[P-](F)(F)(F)(F)(F)F
|inchi=1S/C18H24N2.C2H3N.3CO.F6P.Mn/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-3;3*1-2;1-7(2,3,4,5)6;/h7-12H,1-6H3;1H3;;;;;/q;;;;;-1;+1
|inchi=1S/C18H24N2.C2H3N.3CO.F6P.Mn/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-2-3;3*1-2;1-7(2,3,4,5)6;/h7-12H,1-6H3;1H3;;;;;/q;;;;;-1;+1
|inchikey=OMERWMHUIAGAOR-UHFFFAOYSA-N
|inchikey=OMERWMHUIAGAOR-UHFFFAOYSA-N
|width=300px
|width=200
|height=200px
|height=200
|float=none
|float=none
|parent=
|parent=
}}
}}

Latest revision as of 20:18, 26 April 2024

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Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation [Mn(dtBubpy)(CO)3(MeCN)][PF6]
Trivialname n/a
Exact mass 593.107467774
Molecular formula C23H27F6MnN3O3P
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

[Mn(dtBubpy)(CO)3(MeCN)][PF6]


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