Molecule FYI-1009587

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A

Molecule Summary:

ID: FYI-1009587
Names:
InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2024-05-16

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
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 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
    2.4965    0.0904   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.5643   -2.2768    1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749   -3.4534    2.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.6193   -4.6389    3.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1300   -5.8132    4.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6483   -5.8196    4.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1615   -6.9945    4.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6814   -7.0045    4.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9683   -2.5201    2.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7266   -4.5692    4.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8907  -11.1837    4.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
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  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
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 15 16  1  0  0  0  0
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 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
M  END
$$$$

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2024-05-16, 146👍, 0💬