Molecule Editor

Molecule ID: FYI-1016701 Edit

Molecule Structure InChIKey: PJDSOQZDVRIEMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016701
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   14.3106    3.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4485    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4406    3.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    4.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7346    3.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6493    2.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0353    4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383    5.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8857    3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026    4.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    3.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    3.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3698    3.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    2.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    3.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3237    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6847    0.7843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0854    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016701-3D
FYIcenter.com

 57 56  0  0  1  0  0  0  0  0999 V2000
    0.9667    0.1087    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847    0.1126    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    0.6917   -1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    0.6952   -1.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603    1.2739   -2.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    1.2794   -2.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    1.8592   -3.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6232    1.8660   -3.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1471    2.4436   -5.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    2.4375   -5.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    2.9959   -6.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7697    3.0027   -6.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4177    2.6235   -5.4698 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2998    3.5654   -7.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6275    4.0908   -7.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7587    3.0452   -7.3080 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.8143    2.2354   -8.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8454    1.2499   -8.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0392    3.7118   -7.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2609    4.0866   -5.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4637    3.9197   -4.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6027    4.7616   -5.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8207    5.1565   -4.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8540    0.7024    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444    1.7156   -1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415    0.1026   -2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154   -0.3274   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    1.2873   -0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6852    2.2966   -2.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6822    0.6823   -3.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590    0.2567   -2.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621    1.8711   -1.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.8810   -3.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176    1.2655   -4.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9964    0.8432   -3.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0007    2.4579   -3.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7692    1.8532   -6.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    1.4110   -5.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9231    4.0327   -6.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    2.3992   -7.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6291    4.7430   -6.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8071    4.7663   -8.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6077    2.3255   -6.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0063    2.8741   -9.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8690    1.7070   -8.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6794    1.7188   -8.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6365    5.6602   -6.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3949    4.0709   -5.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0310    5.8316   -3.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7821    5.6624   -4.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8091    4.2751   -3.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  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  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 47  1  0  0  0  0
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 23 57  1  0  0  0  0
M  END
$$$$