Molecule Editor

Molecule ID: FYI-1014201 Edit

Molecule Structure InChIKey: WYLJJYHXPVKJHE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(O)COc4ccc(C(C)(C)c3ccc(OCC(O)COc2ccc(C(C)(C)c1ccc(O)cc1)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014201
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   21.3616   12.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9617   12.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6616   13.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9617   11.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7492   10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7492    9.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9617    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9617    6.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1741    9.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1741   10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7492   13.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7492   14.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3244   14.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1120   15.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8996   14.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871   15.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871   16.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4747   14.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622   15.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5368   12.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
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 37 31  1  0  0  0  0
 38 37  2  0  0  0  0
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 35 43  1  0  0  0  0
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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014201-3D
FYIcenter.com

 94 97  0  0  1  0  0  0  0  0999 V2000
    3.2617   -1.1408   -3.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6013   -1.0937   -3.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958   -1.4935   -4.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1959   -0.6087   -2.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -0.2175   -1.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491   -0.6278   -2.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2139   -0.1231   -1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2262    1.4107   -1.3114 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8943    1.8616   -0.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    2.0154   -2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2124    4.5981   -7.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1787    5.7703   -6.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7690    6.9968   -7.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667    7.0826   -8.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 86  1  0  0  0  0
 41 42  1  0  0  0  0
 41 87  1  0  0  0  0
 42 88  1  0  0  0  0
 43 44  1  0  0  0  0
 43 89  1  0  0  0  0
 44 90  1  0  0  0  0
 45 46  1  0  0  0  0
 45 91  1  0  0  0  0
 46 92  1  0  0  0  0
 47 48  1  0  0  0  0
 47 93  1  0  0  0  0
 48 94  1  0  0  0  0
M  END
$$$$