
 OpenBabel04291915373D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.4257   -5.0488   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -4.7611   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -3.3074   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -2.8186   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -1.5881   -0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368   -1.1314   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    0.1858    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836    0.6746    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1448   -0.0826   -0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3813    1.9918    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    2.4806    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674   -2.0221   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -2.4790   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296   -2.9701   -0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8291    3.8038    0.4927 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2682   -6.0983   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -4.5127   -1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -4.7380    0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643   -5.0719   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641   -5.2972    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932   -3.4552   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    0.8224    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5733    2.6284    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -2.3921   -0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007    4.1449    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <SKU>
A11197

>  <Product Name>
AS-604850

>  <CAS>
648449-76-7

>  <M.Wt>
206.1947

>  <Formula>
C11H10O4

>  <Synonyms>
AS604850

>  <URL>
https://www.adooq.com/as-604850.html

$$$$
