Molecule FYI-1010154

A

Molecule Summary:

ID: FYI-1010154
Names:
InChIKey: NVYGLIYHVMMTJQ-SILNSSARSA-N
SMILES: CCCCCCCC/C(C)=C\\CCCCCCCC(=O)OCC(O)CO

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010154 Edit

Molecule Structure InChIKey: NVYGLIYHVMMTJQ-SILNSSARSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010154
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    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  2  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  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010154-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
    5.6967   -0.6699    5.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6359   -1.8020    4.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6764   -1.9581    3.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6089   -3.0932    2.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359   -3.2348    1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561   -4.3687    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5482   -4.4882   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458   -5.6354   -1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5349   -5.7271   -2.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742   -6.6440   -3.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4539   -5.0492   -3.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599   -4.0913   -2.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8831   -4.5610   -3.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737   -3.5882   -2.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3030   -4.0255   -2.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3031   -3.0563   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7714   -2.5867   -1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1543   -3.1024   -2.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4118   -4.1165   -2.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0771   -2.3081   -1.4532 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3122   -2.9789   -1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1157   -4.6544    0.1625 O   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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  1 29  1  0  0  0  0
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  6  7  1  0  0  0  0
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 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  2  0  0  0  0
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 23 24  1  0  0  0  0
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 26 68  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1235👍, 0💬