Molecule FYI-1006515

A

Molecule Summary:

ID: FYI-1006515
Names:
InChIKey: UCYPOAPUDLUXQX-HZJYTTRNSA-N
SMILES: CCCCC/C=C\\C\\C=C/CCCCCCCCCCCC(=O)OCC(O)CO

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006515 Edit

Molecule Structure InChIKey: UCYPOAPUDLUXQX-HZJYTTRNSA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/CCCCCCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006515
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8237    2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0411    1.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0006    0.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7147    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4089    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1059    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8041    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4798    0.0608    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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19  5  2  0  0  0  0
 20  2  1  0  0  0  0
 21  1  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006515-3D
FYIcenter.com

 75 74  0  0  1  0  0  0  0  0999 V2000
   11.7962   13.1365   12.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2146   11.7505   12.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955   11.6536   10.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142   10.2553   10.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085   10.1918    9.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    8.8414    9.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9643    8.5764    7.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7049    9.5841    6.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    9.1343    5.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0880   11.0585    3.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8434   12.4842    4.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 68  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 29 75  1  0  0  0  0
M  END
$$$$

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2024-01-10, 341👍, 0💬