Molecule FYI-1004784

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A

Molecule Summary:

ID: FYI-1004784
Names:
InChIKey: SSYOLLIRAAWGDJ-UHFFFAOYSA-N
SMILES: O=C(O)c2cc(c1ccc(F)cc1F)cc(I)c2O

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004784 Edit

Molecule Structure InChIKey: SSYOLLIRAAWGDJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2cc(c1ccc(F)cc1F)cc(I)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004784
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004784-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    2.6377    3.6977    0.0283 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    0.0526    2.2081 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784   -0.3922   -0.3049 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767    0.7821   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409   -2.8999    0.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1712   -1.8774   -0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478    0.2947   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4831    0.1163   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930   -0.8183   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -0.6470   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949    1.5787   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7194    0.6371   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    0.0007    1.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376    0.0602   -1.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8787    1.7500   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5953   -0.1710    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211   -0.1117   -1.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -0.2272   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334   -1.8254   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -1.8134   -0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    2.4427   -0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    0.1486   -2.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1629   -0.2610    1.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312   -0.1554   -2.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    1.7325    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242   -3.6887    0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 19  1  0  0  0  0
  5 26  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
$$$$

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2023-10-11, 2171👍, 0💬