Molecule Editor

Molecule ID: FYI-1015863 Edit

Molecule Structure InChIKey: FDHZNXYLISNHCG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(c1ccccc1c2ccc(C(=O)O)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015863
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.5228    1.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2592    2.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974    3.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    3.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6066    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2874    4.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    5.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1164    6.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7051    4.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2043    5.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8873    5.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6534    3.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7363    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0534    3.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2120    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075    0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8028    2.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  1  5  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 11 19  1  0  0  0  0
 11 15  2  0  0  0  0
 17 20  1  0  0  0  0
 10 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 24  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015863-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    3.9917    3.0606   -1.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9547    3.1038    1.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653    3.2258    1.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0262    3.2699   -1.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858   -2.2088    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -2.2043   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524   -0.9816    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -0.9643   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -3.4248    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158   -3.4082   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -0.3897   -1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405   -0.3718    1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066   -0.3902    1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.3725   -1.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6689   -4.6286    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257   -4.6203   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    0.7935   -1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    0.8201    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5451    0.7931    1.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348    0.8195   -1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    1.3851    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9121    1.4159   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    2.6189    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6672    2.6587   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609   -3.4528    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -3.4223   -0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686   -0.8380   -2.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777   -0.8238    2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153   -0.8386    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.8248   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061   -5.5724    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2741   -5.5578   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.2206   -2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381    1.2504    2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    1.2382    2.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    1.2676   -2.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113    3.8925   -1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644    3.9418    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 37  1  0  0  0  0
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  2 38  1  0  0  0  0
  3 23  2  0  0  0  0
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  5  6  1  0  0  0  0
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  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
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 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
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 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
$$$$