Molecule Editor

Molecule ID: FYI-1009587 Edit

Molecule Structure InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009587
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
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   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  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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 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009587-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    0.9815    0.0947   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0169   -1.0868    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355   -1.0952    0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470   -2.2716    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5917   -3.4588    2.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1022   -4.6343    3.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 30  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
$$$$