Molecule Editor

Molecule ID: FYI-1014259 Edit

Molecule Structure InChIKey: YLTBXIGLEDNBSS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CO)COC(=O)c1cccc(C(=O)OCC(C)(C)CO)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014259
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.6731    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9942    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522    6.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    5.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    4.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    7.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    8.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    5.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681    4.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    4.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083    6.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    1.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    0.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    2.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9690    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    1.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1849    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    0.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8492    2.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6996    1.2793    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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  7  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  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
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014259-3D
FYIcenter.com

 50 50  0     0  0  0  0  0  0999 V2000
   -2.2740    0.3307   -0.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    0.3451    0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9237   -3.6977    1.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -3.6896   -1.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863    2.2216   -0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    2.2360    0.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -1.9882   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623   -1.9760    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329   -0.4927   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -0.4790    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2717   -2.3191    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869   -2.3096   -1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -2.3186   -1.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409   -2.8264   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549   -2.8090    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922   -2.3106    1.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952    1.6741   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    1.6991    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2037    2.4231    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0098    5.5993    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
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  9 25  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$