
 OpenBabel04291915373D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.9744   -0.0737   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.0737   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -1.1388   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907   -1.8500   -1.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -1.3452   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -1.6737    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -0.8773    1.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678    1.0187    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758   -2.4612   -2.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -3.0493   -2.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234   -2.8567   -2.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2321   -3.8679   -3.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4854   -4.2364   -3.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5299   -3.5937   -3.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3211   -2.5825   -2.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7702   -2.4881   -2.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9129   -4.0005   -3.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1003   -5.2709   -3.0464 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024   -3.8649   -4.7017 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   -3.2305   -2.7372 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   -4.5362   -3.8533 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0407   -4.2112   -3.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483   -5.5162   -4.6855 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6178   -1.0237    0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178    0.1073   -1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511   -0.2547    0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    0.8763   -0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8883   -0.4514   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971    0.8175    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    2.0111    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6458   -5.0135   -4.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0050   -1.9939   -1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589   -2.3306   -1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  21   1  23  -1
M  END
>  <SKU>
A11093

>  <Product Name>
Nitisinone

>  <CAS>
104206-65-7

>  <M.Wt>
329.2281096

>  <Formula>
C14H10F3NO5

>  <Synonyms>
SC 0735, NTBC

>  <URL>
https://www.adooq.com/nitisinone.html

$$$$
