Molecule FYI-1009875

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A

Molecule Summary:

ID: FYI-1009875
Names:
InChIKey: IGGCZPGKDZKTPZ-BQYQJAHWSA-N
SMILES: CCC/C=C/CCCCCCCCCCC(=O)OCCCCC

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009875 Edit

Molecule Structure InChIKey: IGGCZPGKDZKTPZ-BQYQJAHWSA-N

Molecule Structure SMILES String: CCC/C=C/CCCCCCCCCCC(=O)OCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009875
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 O   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
   18.1866    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    0.0000    0.0000 C   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  2  0  0  0  0
  9  7  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  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009875-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    0.9008    1.0689    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    1.0717    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507    1.7536    1.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4464    1.7611    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1549    1.1715    2.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6487    1.1814    2.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1672    1.8647    3.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    1.8687    3.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2057    2.5517    4.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    2.5565    4.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2411    3.2403    6.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7624    3.2494    6.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2802    3.9352    7.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8028    3.9435    7.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3752    4.6257    8.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8911    4.6053    8.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5546    4.0969    7.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4016    5.1816    9.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2652    4.3056   10.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6828    4.8566   10.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5910    3.9323   11.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0173    4.4755   11.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9156    3.5527   12.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    0.5791   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7849    0.0387   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705    1.2340    2.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871    2.7863    1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9653    2.2657    0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    0.6666    3.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0312    1.7036    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0177    0.1505    2.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959    1.3455    4.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7955    2.8966    3.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651    2.3907    2.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651    0.8392    3.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8298    2.0301    5.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8298    3.5812    4.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1010    3.0779    3.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1010    1.5266    4.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624    2.7172    6.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1376    3.7696    5.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1377    2.2194    6.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9025    3.4100    8.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0403    4.0971    9.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2726    3.3067    9.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0781    4.9798    9.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.0139    5.4702   11.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4291    4.5859   10.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9327    3.9542   12.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9627    2.5572   11.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
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  7  8  1  0  0  0  0
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 23 63  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1803👍, 0💬