
 CHEMBL2324200

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.3518    1.5839   -0.1531 C   0  0  0  0  0
    2.2187    0.4883   -0.2623 C   0  0  0  0  0
    1.7197   -0.8190   -0.3108 C   0  0  0  0  0
    0.3452   -1.0200   -0.2581 C   0  0  0  0  0
   -0.4872    0.0774   -0.1466 C   0  0  0  0  0
   -0.0248    1.3827   -0.0908 C   0  0  0  0  0
   -1.8633   -0.3764   -0.0705 C   0  0  0  0  0
   -2.8543    0.3207    0.0051 O   0  0  0  0  0
   -1.8122   -1.7381   -0.0275 O   0  0  0  0  0
   -0.4842   -2.2789   -0.3092 C   0  0  0  0  0
   -0.7797   -2.8416   -1.7168 C   0  0  0  0  0
   -0.3294   -2.2139   -2.8975 C   0  0  0  0  0
   -0.6505   -2.7295   -4.1613 C   0  0  0  0  0
   -1.4425   -3.8722   -4.2757 C   0  0  0  0  0
   -1.9250   -4.4929   -3.1190 C   0  0  0  0  0
   -1.6065   -3.9779   -1.8554 C   0  0  0  0  0
   -3.1263   -6.1984   -3.2197 I   0  0  0  0  0
   -1.7402   -4.3650   -5.5184 O   0  0  0  0  0
    0.0986   -1.7280   -5.8412 I   0  0  0  0  0
   -0.0023   -3.3139    0.7527 C   0  0  0  0  0
    1.0461   -4.2516    0.4737 C   0  0  0  0  0
    1.5631   -5.1186    1.4584 C   0  0  0  0  0
    1.0735   -5.0901    2.7453 C   0  0  0  0  0
    0.0582   -4.2181    3.0724 C   0  0  0  0  0
   -0.4726   -3.3362    2.1027 C   0  0  0  0  0
   -1.9585   -2.0965    2.9922 I   0  0  0  0  0
    1.6320   -5.9246    3.6637 O   0  0  0  0  0
    2.0790   -4.5322   -1.3777 I   0  0  0  0  0
    1.7572    2.5925   -0.1120 H   0  0  0  0  0
    3.2946    0.6559   -0.3070 H   0  0  0  0  0
    2.4214   -1.6416   -0.3873 H   0  0  0  0  0
   -0.7146    2.2158    0.0063 H   0  0  0  0  0
    0.2823   -1.3156   -2.8456 H   0  0  0  0  0
   -2.0097   -4.4571   -0.9620 H   0  0  0  0  0
   -2.3108   -5.1452   -5.4048 H   0  0  0  0  0
    2.3677   -5.8167    1.2360 H   0  0  0  0  0
   -0.3179   -4.2087    4.0927 H   0  0  0  0  0
    1.2352   -5.7571    4.5361 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
 10 20  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 34  1  0  0  0
 18 35  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 28  1  0  0  0
 22 23  2  0  0  0
 22 36  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 25  2  0  0  0
 24 37  1  0  0  0
 25 26  1  0  0  0
 27 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2324200

>  <PubChem CID>
71720517

>  <Formula>
C20H10I4O4

>  <Molecular Weight>
821.914000

>  <IUPAC Name>
3-(4-hydroxy-2,6-diiodophenyl)-3-(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=C(C=C(C=C4I)O)I

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)I)O)I)C4=C(C=C(C=C4I)O)I

>  <InChI Std. ID>
InChI=1S/C20H10I4O4/c21-13-7-10(25)8-14(22)17(13)20(9-5-15(23)18(26)16(24)6-9)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H

>  <InChI Key>
FSEVMRBUPGTANR-UHFFFAOYSA-N

