Molecule Editor

Molecule ID: FYI-1004787 Edit

Molecule Structure InChIKey: RQOWDDLKGBMJFX-QHCPKHFHSA-N

Molecule Structure SMILES String: CC(C)C[C@H](C(=O)O)c3cc(c1ccc(C(F)(F)F)cc1)cc(c2ccc(C(F)(F)F)cc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004787
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   10.9119    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6368    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5124    0.0000 O   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  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  2  0  0  0  0
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 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
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 31 28  1  0  0  0  0
 32  5  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004787-3D
FYIcenter.com

 56 58  0     1  0  0  0  0  0999 V2000
    6.3188    3.7699    0.3439 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429    1.8674    0.5877 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502    2.5837   -1.3993 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8266    4.2860    0.2265 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4224    3.1490   -1.5285 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0125    2.4770    0.4474 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225   -5.3752    2.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840   -3.2445    2.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -3.6667    0.6266 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8268   -4.4070   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -4.2800   -1.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184   -2.1594    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2305   -4.8488   -1.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187   -1.5194    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1028    0.6056    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627    0.5267    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$