Molecule Editor

Molecule ID: FYI-1013826 Edit

Molecule Structure InChIKey: YIWVGAHKYUNCRM-DGUDKGGBSA-N

Molecule Structure SMILES String: CCCCC/C=C/C=C/CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C=C/CCCCC)OC(=O)CCCCCCCC/C=C/C=C/CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013826
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
   47.2850   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0726   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8601   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6477   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2229   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0103   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   22.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   22.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 21  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 55  1  0  0  0  0
 57 56  2  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013826-3D
FYIcenter.com

158157  0  0  1  0  0  0  0  0999 V2000
    8.7359   -3.5922    2.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1709   -3.5540    1.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2362   -3.0438    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6786   -3.0027   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7407   -2.4895   -1.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1561   -2.4448   -2.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7419   -1.3117   -2.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0981   -1.2543   -3.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6889   -0.1235   -3.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1042   -0.0761   -4.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6017    0.4719   -5.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0917    1.0170   -7.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1410    1.5248   -9.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5832    1.5790   -9.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6705    2.0992  -11.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0955    3.4888  -11.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7752    4.3816  -10.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2735    5.7264  -10.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7828    6.4423  -11.9592 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.2515    7.8855  -11.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1894   11.4959  -11.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6722   11.5748  -11.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6913   13.1057  -11.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2222   14.5288  -11.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5409   15.0282  -12.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0957   16.3959  -12.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4168   16.8990  -13.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9467   18.3239  -13.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4291   18.3959  -13.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9634   19.8481  -13.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4451   19.9280  -14.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844   21.3735  -14.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2441    6.4520  -11.9757 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8540    5.8375  -13.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3161    5.2996  -13.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3677    5.9143  -12.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9495    6.6255  -14.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4716    8.0712  -14.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2147    1.9821   -7.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0551    0.3263   -8.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7096    2.1094  -11.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6169    6.2367   -9.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5923    8.4082  -12.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6627    8.4469  -11.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6320   10.5025  -11.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4895   10.5069  -10.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1921    9.5331  -10.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3259    9.5227  -12.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$