Molecule FYI-1001724

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A

Molecule Summary:

ID: FYI-1001724
SMILES: CCCCC1(Cc2cc(OCCCC3CC(=C(C)C3=O)O)c(Cl)c(Cl)c2C1=O)C4CCCC4

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

Molecule ID: FYI-1001724 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3CC(=C(C)C3=O)O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001724
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.6003   12.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3023   10.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6003    9.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3023    8.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6003    7.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    7.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    5.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    5.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808    2.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0494    2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6179    2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3961    2.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9124    2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1280    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    2.9705    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.8106    6.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1228    6.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1963    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8857    8.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 21 16  1  0  0  0  0
 22  9  2  0  0  0  0
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 26 24  2  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001724-3D
FYIcenter.com

 67 70  0  0  1  0  0  0  0  0999 V2000
    2.3997    1.2250    2.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.6292    1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7421    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3421    1.1770   -0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046    2.1935   -1.7601 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9860    3.2010   -2.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741    4.3598   -1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188    5.3599   -1.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673    6.3581   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1106    7.2350   -0.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    8.6012    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2110   10.3853   -2.7545 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2491   10.2654   -3.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 67  1  0  0  0  0
M  END
$$$$

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2022-12-02, 418👍, 0💬