Molecule Editor

Molecule ID: FYI-1014246 Edit

Molecule Structure InChIKey: LOQQAXRUUVSRJB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CO)COC(=O)c2ccc(C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014246
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    8.3867    7.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3867   10.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667    9.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467   10.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9268    9.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2375    9.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    6.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    7.6104    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
  5  7  1  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 18 19  2  0  0  0  0
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  2 25  1  0  0  0  0
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 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014246-3D
FYIcenter.com

 65 66  0  0  0  0  0  0  0  0999 V2000
    2.6626   -4.6588   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3102   -3.4570    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7737   -3.5183    1.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5523   -2.3783    1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5884   -3.5065    0.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6154   -1.4214    1.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0595   -1.4119    1.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0945   -1.1260    4.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2016   -3.4282    3.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1773   -1.9301    3.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6960   -0.5884    2.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$