Molecule FYI-1006429

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A

Molecule Summary:

ID: FYI-1006429
Names:
InChIKey: QAXXQMIHMLTJQI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC=O

Received at FYIcenter.com on: 2023-12-17

Molecule ID: FYI-1006429 Edit

Molecule Structure InChIKey: QAXXQMIHMLTJQI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCCCCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006429
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    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
   16.9741    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 O   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
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  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
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006429-3D
FYIcenter.com

 79 78  0  0  0  0  0  0  0  0999 V2000
    0.9304   -0.0105    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464   -0.0024    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    1.0394    1.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    1.0482    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0019    2.0907    2.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5198    2.0973    2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0307    3.1375    3.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5478    3.1415    3.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584    4.1812    4.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5751    4.1847    4.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    5.2245    4.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6019    5.2284    5.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1123    6.2680    5.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6289    6.2716    5.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1392    7.3113    6.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6558    7.3151    6.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1662    8.3564    7.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6831    8.3614    7.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1940    9.4017    8.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7115    9.4083    8.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2242   10.4499    9.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7435   10.4569    9.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2587   11.4995   10.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7766   11.5102   10.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3042   12.5518   11.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8085   12.5642   11.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5112   11.8344   11.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8154    0.2149   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5957    2.0331    0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661    1.2675    0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    0.0578    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6284    1.8735    3.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7092    5.0065    6.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7091    6.2170    4.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9781    5.4463    3.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7362    6.0500    6.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7362    7.2605    5.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0049    6.4899    4.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7634    7.0929    7.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7633    8.3036    6.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0316    7.5323    5.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0316    6.3232    7.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0572    8.5807    6.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 46  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 79  1  0  0  0  0
M  END
$$$$

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2024-01-10, 270👍, 0💬