Molecule Editor

Molecule ID: FYI-1015457 Edit

Molecule Structure InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015457
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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  2  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015457-3D
FYIcenter.com

 65 64  0  0  1  0  0  0  0  0999 V2000
    2.8205    0.0304   11.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.9287   10.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850    0.1370    9.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093    1.0340    9.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5419    0.2243    8.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682    1.1075    7.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925    0.2826    6.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.1745    5.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2598    0.4285    4.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2068    1.0370    4.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5216    2.5017    4.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9624    2.7499    4.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9558    2.1782    3.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530    2.8068    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7212    2.2344    1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4826    2.8884   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4335    2.3654   -1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1622    3.0577   -2.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2930    3.8733   -2.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9858    2.5262   -3.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2692    2.0125   -4.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6102    2.8024   -5.8619 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.2257    4.1680   -5.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0371   -0.3227    8.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8386    3.1556   -8.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
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M  END
$$$$