Molecule Editor

Molecule ID: FYI-1015271 Edit

Molecule Structure InChIKey: VZTQQYMRXDUHDO-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015271
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   14.0368    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   12.6000    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  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  2  0  0  0  0
 26 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015271-3D
FYIcenter.com

 67 68  0  0  1  0  0  0  0  0999 V2000
    5.8976   -0.0767    5.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0886    0.9335    4.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    0.6842    3.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593   -0.4024    2.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2663    1.8560    2.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3131    1.7554    1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    1.2103    0.6441 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6619    1.1347   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388    2.0698    1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890    3.3943    0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    4.2927    0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7532    4.0357    1.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6968    5.0371    2.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5807    6.3274    1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6278    7.4400    1.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0273    6.8401    2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    8.2872    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2462    8.3150    2.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5187    7.7845    4.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2419    8.5393    5.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6974    9.8489    5.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5102   10.6801    6.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7547   10.1488    7.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261   11.2056    8.5797 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9311   12.3696    8.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8553   10.6132    9.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   11.5572   10.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8641   11.6656   11.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8891   11.0161   11.4797 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6299   12.6990   12.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843   12.9941   13.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4258   10.3942    4.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7840    2.0471   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8563    2.0973    2.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
$$$$