
 OpenBabel04291915373D

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.6398   -4.0409   11.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246   -5.3010   10.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4836   -5.2723    9.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894   -6.1578    8.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191   -4.2380    8.4694 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162   -3.2307    9.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188   -3.2544   10.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -5.3671   10.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1023   -5.4055   12.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -5.4732   12.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413   -5.5138   13.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -5.5816   13.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1434   -5.6195   14.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574   -4.2109    7.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107   -3.2163    6.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360   -3.1903    5.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -4.1589    4.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334   -4.1329    3.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -5.1796    6.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4758   -5.2003    5.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587   -6.0528    6.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8780   -3.2183    6.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3288   -2.1153    7.0567 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555   -3.2801    6.5925 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -4.2848    7.0392 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7528   -6.5204   11.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7039   -3.9916   11.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806   -4.0616   12.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1976   -3.1825   10.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3727   -4.5232   12.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522   -6.2686   12.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -6.3555   11.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -4.6100   11.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709   -4.6316   13.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -6.3770   13.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242   -6.4638   12.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -4.7184   12.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262   -6.4020   15.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -2.4719    6.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4902   -3.9687    2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488   -6.0028    7.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168   -6.4711   11.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   -7.4074   10.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -6.5411   12.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  3  0  0  0  0
 22 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
>  <SKU>
A11541

>  <Product Name>
RU 58841

>  <CAS>
154992-24-2

>  <M.Wt>
369.3383296

>  <Formula>
C17H18F3N3O3

>  <Synonyms>
RU58841, RU-58841, Benzonitrile

>  <URL>
https://www.adooq.com/ru-58841.html

$$$$
