Molecule FYI-1001726

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A

Molecule Summary:

ID: FYI-1001726
SMILES: CCCCC1(Cc2cc(OCCCC3=C(O)C(=O)CC3)c(Cl)c(Cl)c2C1=O)C4CCCC4

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

Molecule ID: FYI-1001726 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=C(O)C(=O)CC3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001726
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.6013   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033    9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033    7.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    6.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    5.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    4.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    1.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0499    1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    3.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9132    1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1290    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    1.6881    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1723    4.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4579    4.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8117    4.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1240    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1975    6.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8868    7.0335    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
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 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21  9  2  0  0  0  0
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 23 21  1  0  0  0  0
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 25 23  2  0  0  0  0
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 26 25  1  0  0  0  0
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 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-1001726-3D
FYIcenter.com

 64 67  0  0  1  0  0  0  0  0999 V2000
    3.5916    0.9835   -2.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480    0.3949   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161   -0.9216   -1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300   -1.5206    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 64  1  0  0  0  0
M  END
$$$$

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2022-12-02, 936👍, 0💬