Molecule Editor

Molecule ID: FYI-1009507 Edit

Molecule Structure InChIKey: ZZROPSCOXZHYKM-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)CO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009507
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.4870   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3367    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4  6  2  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
 14 15  2  0  0  0  0
  2 15  1  0  0  0  0
  2 11  2  0  0  0  0
  8 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 19 24  1  0  0  0  0
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 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009507-3D
FYIcenter.com

 64 65  0     1  0  0  0  0  0999 V2000
    4.4678   -0.5419    0.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9384   -0.2702   -0.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4658    1.8867   -0.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1465    1.4910   -0.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    2.3267   -0.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$