Molecule Editor

Molecule ID: FYI-1016744 Edit

Molecule Structure InChIKey: CUNIZMHXLOTXEJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCOCCOC(=O)CCCCC(=O)OCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016744
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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  2  0  0  0  0
 16 14  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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  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  1  0  0  0  0
 28 27  1  0  0  0  0
 28  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016744-3D
FYIcenter.com

 58 58  0  0  0  0  0  0  0  0999 V2000
   10.1163   -3.9303    0.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8146   -3.8651   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7274   -4.0990   -2.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2135   -4.5902   -2.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4594   -3.7062   -2.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330   -4.1494   -2.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2905   -3.6894   -2.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2547   -4.3846   -2.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5725   -2.4682   -1.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4535   -1.7344   -1.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5349   -0.4949   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1394   -0.2834   -0.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6599    0.7110    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1584    0.5820    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4576    1.6178    1.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1209    1.8096    1.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6424    2.7024    1.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1599    0.9175    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    0.2812   -1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151   -0.3155   -1.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9839   -1.0035   -3.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4328   -2.1598   -4.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9746   -2.3649   -5.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7211   -3.1607   -3.4774 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290   -3.1574   -3.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0845   -3.0173   -1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796   -3.2295   -0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484   -3.5217   -1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475   -3.1937   -2.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1477   -4.8762   -2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2708   -4.7499   -3.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3516   -5.5724   -1.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5734   -3.7232   -0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2341   -2.6885   -2.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7505   -3.9795   -3.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013   -5.2369   -2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9997    0.3430   -1.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0424   -0.6855    0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7960    0.1429    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2457   -0.5503   -0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1170    1.0137   -1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120    0.4725   -2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8629   -0.9924   -1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9846   -1.3467   -2.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6237   -2.0291   -1.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3669   -2.3140   -0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344   -4.0236    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  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  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
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 13 41  1  0  0  0  0
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 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
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 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
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 22 23  2  0  0  0  0
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 26 27  1  0  0  0  0
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 27 58  1  0  0  0  0
M  END
$$$$