
 OpenBabel04291915413D

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.3556    2.9787   -3.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126    3.9298   -4.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762    4.3889   -5.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    5.2499   -6.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711    5.6938   -6.8021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643    3.1255   -3.7311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053    5.6820   -6.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6569    6.5430   -7.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449    6.9449   -8.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8965    7.8059   -9.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0845    8.2078   -9.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    5.2230   -6.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0011    3.9567   -4.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    4.4158   -5.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    4.0139   -4.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617    4.4729   -5.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    5.3339   -6.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0528    3.0957   -3.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0293    3.9426   -4.7096 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440    4.3378   -3.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    2.4263   -4.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    4.7087   -5.6258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423    1.9766   -3.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    3.1152   -2.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686    3.1578   -2.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    6.8958   -8.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    6.5921   -7.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233    8.1587   -9.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7361    8.7213  -10.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088    4.6042   -5.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    5.0774   -6.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    3.3522   -4.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7774    5.9526   -7.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855    2.4770   -2.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.4445   -6.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2244    4.4034   -5.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 20  2  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <SKU>
A13342

>  <Product Name>
Valdecoxib

>  <CAS>
181695-72-7

>  <M.Wt>
314.35896

>  <Formula>
C16H14N2O3S

>  <Synonyms>
N/A

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

$$$$
