Molecule Editor

Molecule ID: FYI-1004188 Edit

Molecule Structure InChIKey: SOTOSQYIQVQPQN-PKNBQFBNSA-N

Molecule Structure SMILES String: CC(C)(C(=O)O)c4ccc(/C=C/CCN3CC/C(=C(c1ccccc1)\c2ccccc2)CC3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004188
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   18.1866    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
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 33 30  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004188-3D
FYIcenter.com

 70 73  0     0  0  0  0  0  0999 V2000
  -10.2260    1.4044   -1.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8833   -0.9667    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$