Molecule Editor

Molecule ID: FYI-1003858 Edit

Molecule Structure InChIKey: ASULKFPFLGHOAW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003858
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   29.0985    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    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 C   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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 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  1  0  0  0  0
 19 18  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  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003858-3D
FYIcenter.com

 80 79  0  0  0  0  0  0  0  0999 V2000
    0.9606   -0.0775    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -0.0757    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.3261    1.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5156    0.3287    1.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    0.7288    2.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    0.7322    2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    1.1319    4.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5744    1.1355    4.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    1.5334    5.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6022    1.5348    5.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1127    1.9307    6.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6298    1.9302    6.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    2.3242    8.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6582    2.3258    8.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1676    2.7210    9.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6814    2.7200    9.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2052    3.1208   11.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7270    3.1251   11.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2874    4.1158   10.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8070    4.1206   10.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2910    4.4809   11.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2783    5.8315   11.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9119    6.6642   10.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7641    6.1592   13.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2875    6.3883   13.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0954    5.1814   12.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0464    7.4335   13.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5305    7.2857   13.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847   -0.3660   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5726    0.9176    0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -0.7848    0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479    0.6223   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -1.0736   -0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240   -0.3704    2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.3235    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8933    1.0282    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8933   -0.6676    1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    0.0293    3.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.7250    3.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    1.4320    2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9216   -0.2637    2.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6829    0.4322    4.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    2.1279    4.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9493    1.8366    3.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515    0.1400    3.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098    0.8332    6.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098    2.5295    5.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9781    2.2361    4.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9780    0.5390    5.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7360    1.2303    7.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7383    2.9271    7.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065    2.6317    6.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042    0.9342    6.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7647    1.6218    9.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7647    3.3195    8.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0334    3.0269    7.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333    1.3299    8.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7929    2.0204   10.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7932    3.7174    9.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0374    3.4189    8.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    1.7280    9.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8302    2.4202   11.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8281    4.1159   11.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0959    2.1164   10.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0787    3.3811   12.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9018    5.1175   10.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9541    3.8615    9.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1954    4.8229    9.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1803    3.1214    9.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4951    5.3299   13.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6054    6.6152   14.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5590    7.2600   12.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8320    4.3072   13.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1651    5.3766   12.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9276    4.9532   11.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2828    8.2789   12.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4202    7.7045   14.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1115    7.0288   12.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0702    8.2240   13.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2343    6.5113   14.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 20  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 70  1  0  0  0  0
 25 26  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 27 28  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 28 80  1  0  0  0  0
M  END
$$$$