Molecule Editor

Molecule ID: FYI-1016046 Edit

Molecule Structure InChIKey: PYXOVGBGCDZGFV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016046
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 30  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016046-3D
FYIcenter.com

 54 54  0  0  1  0  0  0  0  0999 V2000
    0.9659    0.0071   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -0.0535    0.1150 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1042    1.0917   -0.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291    2.0926    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    2.2962    1.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7915    2.7472   -0.3003 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5104    3.5144   -1.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4126    3.6030    0.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    3.5007    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4918    4.0924   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    2.5910    1.8577 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3444    1.3992    2.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.0973    1.4958 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0745    1.0902    2.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1033    1.1803    3.5189 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2147   -0.1906    1.4592 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3160   -0.0659    0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3264   -1.3654    2.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891   -2.5028    1.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5812   -3.0939    0.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647   -2.9436    2.0530 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6584   -1.8499    2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8120   -3.2507    0.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4763   -3.5074    0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089   -4.0701    1.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.7829   -0.3314 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6352   -3.7530   -1.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969   -2.1643    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -1.2078   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441   -1.1879   -1.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4907   -0.8659    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    0.0412   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7725   -0.1296    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4420    3.9067   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    3.1790    2.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3702    0.7904    1.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6593    0.7755    2.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666   -0.2793    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3089   -0.1230    0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2356    0.8765   -0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2409   -0.8751   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5432   -3.8367    2.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3148   -1.1486    1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2111   -1.3216    3.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427   -2.2381    3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849   -1.9666   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820   -4.5104   -1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820   -4.2540   -1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166   -3.2404   -2.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 39  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 43  1  0  0  0  0
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 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 53  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$