Molecule Editor

Molecule ID: FYI-1011866 Edit

Molecule Structure InChIKey: WBXNSRLTOOKDHI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Oc2ccc(CCC(CC(CCc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O)OC(C)=O)cc2OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011866
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  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
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 23 22  2  0  0  0  0
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 36 13  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40  6  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011866-3D
FYIcenter.com

 79 80  0  0  1  0  0  0  0  0999 V2000
   10.3689   -2.7441   10.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0772   -3.1894    9.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   -4.2577    9.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4710   -2.2274    8.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2057   -2.3405    7.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2959   -2.0376    6.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1981   -2.0674    4.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012   -2.3823    4.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698   -1.8222    2.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508   -2.1466    1.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122   -1.0909   -0.0321 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5786    0.3817    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4913    1.4653   -0.9769 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0023    1.6144   -1.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7489    2.5289   -2.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2912    2.6964   -3.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9491    3.9874   -3.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7383    4.2161   -4.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8126    3.1398   -4.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297    3.7554   -5.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    4.2739   -5.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3030    3.1109   -0.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1822    2.3146   -0.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$