Molecule Editor

Molecule ID: FYI-1017377 Edit

Molecule Structure InChIKey: JWDNJPFUBHAARV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)OCCOC(=O)CCCCC(=O)OCCOC(=O)c1ccc(cc1)C(=O)OCCOCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1017377
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
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    0.8913   11.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334   10.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308    6.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5899   16.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   15.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   15.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   14.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   16.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5984    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  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  2  0  0  0  0
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 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
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 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 38  1  0  0  0  0
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 40 41  2  0  0  0  0
 10 41  1  0  0  0  0
 10 37  2  0  0  0  0
  8 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017377-3D
FYIcenter.com

 77 78  0  0  0  0  0  0  0  0999 V2000
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   10.9022   -6.9450   -3.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9947   -8.1785   -7.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$