Molecule FYI-1007072

A

Molecule Summary:

ID: FYI-1007072
Names:
InChIKey: HHDXFPJBPBUXPK-UHFFFAOYSA-N
SMILES: O=C(O)CCC(=O)OCCCCOCCCCOC(=O)CCC(=O)OCCCCO

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007072 Edit

Molecule Structure InChIKey: HHDXFPJBPBUXPK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCC(=O)OCCCCOCCCCOC(=O)CCC(=O)OCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007072
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   30.3109    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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
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 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007072-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    8.0860   -2.1535    1.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718   -2.4267    3.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120   -1.4792    3.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450   -3.8389    3.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5446   -3.0990    4.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2650   -2.2651    5.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5763    1.9981    4.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2581    3.3844    4.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0361    4.1887    5.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5509    4.0470    5.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5623    6.4382    4.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2725    8.3727    4.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3458    8.9111    3.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3002    8.4340   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
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  6  7  2  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
$$$$

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2024-02-11, 1201👍, 0💬