Molecule Editor

Molecule ID: FYI-1006209 Edit

Molecule Structure InChIKey: AINIFZLVVZHNRB-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCOCCCCNC(O)C1CC(C(O)NCCCCOCCO)CC(C(O)NCCCCOCCO)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006209
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
   26.6736   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  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 24  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 14  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006209-3D
FYIcenter.com

 96 96  0  0  1  0  0  0  0  0999 V2000
    1.0089    0.7931   -0.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8651    2.4996    3.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687    2.2681    3.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3760    2.2598    9.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7342    0.8289   10.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1686    0.7262   10.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4933   -0.7202   11.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3409   -1.4960    9.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$