Molecule Editor

Molecule ID: FYI-1015453 Edit

Molecule Structure InChIKey: YNDYKPRNFWPPFU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015453
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
    4.8497    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
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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 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  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  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  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015453-3D
FYIcenter.com

 66 65  0  0  1  0  0  0  0  0999 V2000
    1.0536   -0.0732   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630   -0.0669   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901   -0.1608   -1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6081   -0.1569   -1.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1214   -0.2505   -2.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.2466   -2.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1467   -0.3401   -4.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6670   -0.3363   -4.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1777   -0.4278   -5.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944   -0.4259   -5.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2083   -0.5194   -7.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7263   -0.5204   -7.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2692   -1.7067   -6.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7940   -1.7048   -6.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3855   -0.4356   -5.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9013   -0.4938   -5.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6037    0.3166   -6.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3880   -1.5617   -5.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6340   -2.0785   -5.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3820   -2.9729   -6.9311 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7378   -2.2020   -7.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7100   -3.5011   -7.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3929   -4.2651   -6.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8960   -4.8726   -7.0771 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.6116   -3.5980   -6.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9598   -6.0298   -5.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4034   -5.4716   -7.6785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745   -0.0059    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -0.9943   -0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.7761   -0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -0.9111    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8023   -1.3439   -6.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0695    0.4909   -5.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8289    0.3271   -7.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290   -1.4357   -7.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1007    0.4178   -6.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0400    0.4370   -6.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1243   -2.6662   -4.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2779   -1.2352   -5.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7119   -3.8015   -6.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2605   -1.3908   -8.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5147   -4.1455   -8.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.8080   -4.9487   -8.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
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  9 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
M  END
$$$$