Molecule Editor

Molecule ID: FYI-1016441 Edit

Molecule Structure InChIKey: IAJGVJNJFAMDSK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCN(=O)(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016441
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6036    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8888    1.3590    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
  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  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016441-3D
FYIcenter.com

 49 48  0     0  0  0  0  0  0999 V2000
   -3.3362    0.0338    1.3221 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9470    3.4064   -0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7195   -2.9509    0.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4445   -0.0030   -0.0509 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1891   -0.5204   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9601    0.0275    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -0.4228   -0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7242    1.3938   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6053   -0.8947   -0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962    0.1704    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9086   -0.3332   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    0.2336    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -0.3003   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037    2.0939    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6161   -2.1313    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6746    0.2593    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9823   -0.3294   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1876    0.2674    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2035   -0.2575   -1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909   -1.6104   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459   -0.3080    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9741    1.1217    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -0.1374   -1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -1.5178   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844    1.9522   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    1.3173   -1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5404   -0.3466   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5581    1.2642    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -0.0476   -1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324   -1.4289   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080    1.3285    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.0331    1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4787   -0.0598   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370   -1.3946   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3056    2.2045    1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6674    1.5842    0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7412   -1.8833    1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085   -2.7307    0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032    0.0615    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6903    1.3497    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656   -0.1372   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9827   -1.4168   -0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5716    3.8299    0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7003   -3.7312    0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483    0.0658    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123   -0.1663    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    1.3514    0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 45  1  0  0  0  0
  3 15  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
M  END
$$$$