Molecule Editor

Molecule ID: FYI-1014190 Edit

Molecule Structure InChIKey: UOZJXRIZQGFJJS-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014190
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   14.3618    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6742    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2742    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7123    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014190-3D
FYIcenter.com

 62 62  0  0  0  0  0  0  0  0999 V2000
    6.1558   -0.9149    7.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9176    0.0537    6.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2298   -0.2638    6.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7868   -1.2544    6.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9336    0.8075    5.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    0.2287    4.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -0.8130    3.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5349   -0.7409    3.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6132   -1.7307    3.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2971   -2.7488    2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2392   -2.9332    2.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4753   -3.6863    2.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1359   -4.8334    1.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2573   -5.8234    1.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4460   -6.4281    0.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9205   -6.0524    2.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146   -7.2700    2.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2112   -6.9239    2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3841   -7.8608    2.7326 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6677   -7.0329    2.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5680   -5.6805    3.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9224   -7.6576    3.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9456   -6.6769    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7868   -7.8265    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9716   -8.6083   -0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5754   -8.7217    0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3902   -9.1062    1.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4610  -10.1650    2.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1044   -9.9684    2.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143   -0.5819    7.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5144   -0.9865    8.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1976   -1.8903    6.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2689    1.5855    6.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3361   -3.1301    2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2984   -5.8682    4.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8497   -4.9749    2.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6558   -9.6317   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9181  -10.2324    3.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979  -10.9107    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
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 19 20  1  0  0  0  0
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 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
$$$$