
 OpenBabel04291915383D

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.5740   -3.2998   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752   -2.4653   -0.3695 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -1.4151   -1.4707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894   -1.7880    0.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767   -3.6543   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591   -3.2602   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7455   -4.1613   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279   -3.7672   -0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239   -2.4721   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -4.9494   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0886   -4.7361   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3434   -4.3505   -0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040   -5.3195   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5763   -4.9593   -0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067   -6.6207   -0.9942 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.7415   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   -2.9577   -0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441   -2.5636   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2401   -1.2683   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5225   -0.8742   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8185    0.4211    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6753   -2.0564   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4935   -4.0362    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -3.7747   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119   -2.5819   -0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9866   -2.2649   -0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5181   -5.1565   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9274   -1.6443   -0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -5.7771   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5482   -3.1954   -1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -3.1955    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7021   -3.2562   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4820   -0.5757   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805   -1.5668   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4219    1.2489    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6485   -1.9535   -0.2935 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  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
>  <SKU>
A11918

>  <Product Name>
Rofecoxib (Vioxx)

>  <CAS>
162011-90-7

>  <M.Wt>
314.35566

>  <Formula>
C17H14O4S

>  <Synonyms>
Vioxx

>  <URL>
https://www.adooq.com/rofecoxib-vioxx.html

$$$$
