Molecule Editor

Molecule ID: FYI-1015901 Edit

Molecule Structure InChIKey: MSUWVSCSQNNGNE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CCCCC(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015901
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
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    0.0000    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   12.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   11.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   12.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   11.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   12.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872   11.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6380    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2753    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.4983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    5.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418    7.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1596    5.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 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
 16 18  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 17 30  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  1  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015901-3D
FYIcenter.com

 73 74  0  0  0  0  0  0  0  0999 V2000
   10.9174   -7.6550   -4.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5459   -7.5218   -2.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7179   -7.0899   -1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8137   -7.5970   -2.1101 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506   -5.8252   -1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7300   -5.2491   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5415   -3.8871    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5801   -3.8697    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9576   -4.8104    2.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2333   -5.7225    2.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1780   -4.5166    2.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6458   -5.4116    4.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9973   -5.0959    5.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5423   -5.9390    6.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1983   -5.2969    7.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3903   -4.0933    7.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7361   -6.2507    8.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1026   -7.4637    8.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6424   -8.3297    9.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8302   -7.9956   10.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5228   -8.9204   11.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7188   -8.8511   11.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8045  -13.4553   14.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9930  -15.8936   14.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6359  -17.0945   15.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0016  -17.0899   15.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9016   -5.9053    9.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
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 30 31  1  0  0  0  0
 30 39  2  0  0  0  0
 31 32  2  0  0  0  0
 31 65  1  0  0  0  0
 32 33  1  0  0  0  0
 32 66  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 39  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 41  1  0  0  0  0
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 41 73  1  0  0  0  0
M  END
$$$$