-ISIS-  08251614172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.6625   -0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
  4  3  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <ID> (STK924075)
STK924075

>  <Rotatable_Bonds> (STK924075)
4

>  <logP> (STK924075)
1.344

>  <PSA> (STK924075)
65.74

>  <H_Donors> (STK924075)
0

>  <H_Acceptors> (STK924075)
5

>  <Number_of_rings> (STK924075)
2

>  <NAME> (STK924075)
1-benzofuran-3,6-diyl diacetate

>  <Mol_Weight> (STK924075)
234.21

>  <Mol_Formula> (STK924075)
C12H10O5

>  <Smiles> (STK924075)
CC(=O)Oc1ccc2c(c1)occ2OC(=O)C

$$$$