Molecule Editor

Molecule ID: FYI-1014142 Edit

Molecule Structure InChIKey: RMISZUMPGDBKDD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCOC(=O)CCSS(=O)CCC(=O)OCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014142
FYIcenter.com

 37 36  0  0  0  0  0  0  0  0999 V2000
   16.8210    0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0162    1.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.8860    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4611    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.8363    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.0990    0.6239    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  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  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
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  1 18  1  0  0  0  0
 20 19  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
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 28 27  1  0  0  0  0
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 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014142-3D
FYIcenter.com

 95 94  0  0  0  0  0  0  0  0999 V2000
    9.8805   -0.2231    7.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1698    8.0899   -8.5018 S   0  0  3  0  0  0  0  0  0  0  0  0
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   19.2321   10.6582   -9.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5921   11.2511   -8.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$