Molecule Editor

Molecule ID: FYI-1016700 Edit

Molecule Structure InChIKey: YZWRNSARCRTXDS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)OCC(COC(=O)CC)OC(=O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016700
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6917    3.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217    3.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8900    4.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1157    3.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0304    2.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164    4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    5.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668    3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7048    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658    0.7843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2628    4.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0277    6.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545    4.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4665    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7329    2.8264    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
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016700-3D
FYIcenter.com

 38 37  0     0  0  0  0  0  0999 V2000
   -1.2799   -1.2653    0.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357   -0.3828    1.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    1.5414    1.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -2.0943   -1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -1.1887   -0.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353    2.7374   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318   -0.4213    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765   -1.2012    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654    0.8372    1.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415   -2.0551   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763   -2.8793    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9126   -0.4744   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2385    2.4724    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.4502   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350    3.1241   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -3.7734   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9192    0.3873   -1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224    4.1858   -1.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132   -0.1093   -0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964   -2.1577    0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9528   -1.4597    2.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    1.4852    1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    0.5653    2.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867   -3.4978    0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -2.1978    0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    1.4733    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7410    0.1629    0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020    2.3476   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941    3.5829    0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3431   -3.1812   -2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334   -4.4718   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416   -4.3555   -0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2954   -0.6257   -1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    0.6755   -2.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7761    1.0655   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    4.9790   -1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8686    3.7555   -2.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2774    4.6394   -1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$