Molecule Editor

Molecule ID: FYI-1005877 Edit

Molecule Structure InChIKey: DVKKNBGQAADHHH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005877
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
   30.3109    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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  2  0  0  0  0
 10  8  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  1  0  0  0  0
 18 17  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 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005877-3D
FYIcenter.com

 63 63  0  0  0  0  0  0  0  0999 V2000
    4.1451   -0.5622    7.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -1.0832    6.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -1.6052    5.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472   -1.2304    4.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0443   -0.6417    5.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -0.8019    3.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3078   -0.2284    4.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679   -0.9043    5.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521   -0.3159    6.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1387   -2.2412    4.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8302   -2.9869    5.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399   -2.8214    5.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7954   -3.3714    4.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2012   -3.2157    4.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9822   -4.0247    5.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3754   -3.8841    5.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1049   -4.5907    6.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5902   -4.3945    5.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3270   -5.0902    6.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7231   -4.9434    6.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5166   -5.7447    7.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9274   -5.5844    7.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4625   -6.4182    6.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8817   -7.2813    5.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9249   -6.1932    6.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5211   -4.9486    6.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9129   -4.8031    6.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7097   -5.9016    6.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1928   -5.8366    6.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
$$$$