Molecule FYI-1006844

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Molecule Summary:

ID: FYI-1006844
Names:
InChIKey: FMMOOAYVCKXGMF-MURFETPASA-N
SMILES: CCCCC/C=C\\C\\C=C/CCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006844 Edit

Molecule Structure InChIKey: FMMOOAYVCKXGMF-MURFETPASA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006844
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    4.1795    2.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1560    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7513    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5608    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3465    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9654    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9419    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1324   10.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5372   11.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5372    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1324    8.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5372   12.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1324    4.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7277    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7277    5.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9419   13.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8266    3.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125    0.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0808    0.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2313    0.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6760    3.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2077    3.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042    3.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6361    3.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2572    9.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5231   11.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7419    7.2161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
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  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
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  8 33  1  0  0  0  0
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  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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 12 16  2  0  0  0  0
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 14 44  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 47  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006844-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    8.3410   -1.8292   -2.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.8738   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9712   -5.3524   10.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2376   -6.1852   12.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2375   -7.0577   13.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -7.6776   14.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
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  9 10  2  0  0  0  0
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 22 58  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1234👍, 0💬