Molecule Editor

Molecule ID: FYI-1015726 Edit

Molecule Structure InChIKey: VAVPUYLCKVQHBL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCCCC(=O)OC(C)C(=O)OC(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015726
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   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
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    8.4871    3.5000    0.0000 O   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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23  1  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015726-3D
FYIcenter.com

 50 49  0  0  1  0  0  0  0  0999 V2000
    2.5073   -0.3061    1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866   -1.4603    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643   -1.0897   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6549   -2.2459   -0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1725   -1.9285   -2.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398   -1.9310   -2.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638   -1.3135   -1.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090   -2.9057   -3.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426   -2.9795   -3.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0627   -3.9488   -4.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6029   -4.0216   -4.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0597   -4.9967   -5.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3052   -5.6372   -6.2169 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4178   -5.0833   -5.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9676   -6.0066   -6.5353 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9600   -5.3570   -7.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4215   -6.3564   -6.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0092   -5.9222   -5.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9822   -7.2306   -7.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3594   -7.6174   -6.8093 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.4157   -8.7121   -5.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0112   -8.1577   -8.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1660   -8.5481   -8.1709 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1903   -8.1726   -9.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052   -0.5915    2.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -0.0180    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497    0.5689    1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236   -2.3294    1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955   -1.7465    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202   -0.2168   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -0.7988   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9942   -3.1105   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599   -2.5509   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152   -2.5784   -4.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975   -3.8975   -3.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173   -3.2876   -2.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9430   -1.9764   -3.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6802   -3.6447   -5.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617   -4.9500   -4.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930   -4.3564   -3.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0096   -3.0293   -4.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3897   -6.9403   -6.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5671   -4.4449   -7.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9528   -5.0645   -8.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3668   -6.0280   -8.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9435   -6.7376   -6.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8486   -9.5909   -6.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9746   -8.3811   -4.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4440   -9.0332   -5.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2863   -7.8497   -8.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$