
 OpenBabel04291915343D

 59 60  0  0  0  0  0  0  0  0999 V2000
   12.0653    5.2634    7.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3481    4.5674    6.7464 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0653    3.8702    5.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516    4.5686    6.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2801    3.9170    5.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9372    3.9181    5.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    3.2665    4.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9372    2.6138    3.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2801    5.2212    7.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217    3.2676    4.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1647    3.9063    5.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867    4.6069    6.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297    5.2456    7.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9517    5.9462    8.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    5.9452    8.7736 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9397    6.6412    9.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9397    5.2480    7.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297    6.6480    9.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    3.9075    5.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0997    2.5670    3.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7568    2.5681    3.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    1.9165    2.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    1.9176    2.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    2.5703    3.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7712    1.9143    2.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442    1.2400    1.8151 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614    0.5428    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903    1.2412    1.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9426    0.0460    0.0678 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   11.3700    5.7200    8.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6813    6.0181    7.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6796    4.5714    8.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1173    3.9790    5.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8077    4.2792    4.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8060    2.8325    5.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961    3.4154    5.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4212    4.4196    6.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620    2.0393    3.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1552    5.7958    8.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9187    4.6061    6.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977    5.2464    7.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2444    7.0978   10.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5558    7.3958    9.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540    5.9491   10.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2444    4.7925    7.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540    4.4923    8.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5558    5.9391    7.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1142    7.2231   10.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903    3.5645    5.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    3.0697    4.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6013    1.4150    2.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2462    2.9188    4.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5959    1.5658    2.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134    0.6516    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038    0.9518   -0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.4950    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    1.8071    2.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478    0.2353    1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    1.6820    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6 37  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 20  1  0  0  0  0
 10 11  2  3  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
M  CHG  2  15   1  29  -1
M  END
>  <SKU>
A10245

>  <Product Name>
Crystal violet

>  <CAS>
548-62-9

>  <M.Wt>
407.9788

>  <Formula>
C25H30ClN3

>  <Synonyms>
Gentian violet, Methyl Violet 10B, hexamethyl pararosaniline chloride, pyoctanin(e)

>  <URL>
https://www.adooq.com/crystal-violet.html

$$$$
