Molecule FYI-1001725

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A

Molecule Summary:

ID: FYI-1001725
SMILES: CCCCC1(Cc2cc(OCCCC3=C(O)CCC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001725 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=C(O)CCC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001725
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   11.2051   11.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9071   10.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9071    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    6.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8089    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3012    4.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3012    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0853    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8695    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9394    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    4.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0753    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1185    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5170    0.9317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9486    2.3357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    4.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7762    5.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0617    4.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6071    6.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4156    5.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7278    5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8013    7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4906    7.6811    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001725-3D
FYIcenter.com

 64 67  0  0  1  0  0  0  0  0999 V2000
    0.9411   -0.5017   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402   -0.2706   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9093    0.6768    0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    0.9304    0.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925    1.8662    2.0460 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5215    2.0466    1.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5850    3.2514    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    3.6770    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    4.8672   -0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7168    5.1149   -1.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0396    6.4699   -1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    6.6524   -1.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8450    8.1216   -2.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874    8.4285   -2.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810    8.4700   -3.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7359    8.1285   -4.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4771    8.9493   -3.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5082    9.3057   -1.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1353    8.9158   -1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7427    8.9958   -0.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3499    5.6102   -0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    7.0115   -1.6238 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    5.1768    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    6.0463    0.2419 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4193    4.0081    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705    3.2768    1.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    3.7453    2.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975    1.3955    3.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    1.9694    4.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6543   -0.1151    3.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767   -1.1544   -0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6666    0.1524   -1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3706    1.6239    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6516    1.3564   -0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9461   -0.0331    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671    1.1630    1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1073    2.3001    2.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5807    3.0980    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6998    7.1399   -0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751    6.7243   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9351    5.9954   -2.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521    6.3454   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4207    8.7605   -1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3174    8.4015   -3.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7071    9.8230   -3.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2044    8.1640   -3.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6616   10.3794   -1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710    8.7353   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549    1.7035    3.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4778    2.0731    4.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    1.3851    6.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5448   -0.2421    5.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0351   -1.1911    5.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5786   -0.5472    3.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
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 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
$$$$

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2022-12-02, 2133👍, 0💬