Molecule Editor

Molecule ID: FYI-1010852 Edit

Molecule Structure InChIKey: RBDIOUBPOLHFMP-NNLKUIAGSA-N

Molecule Structure SMILES String: C=CC(C)(O)CC/C=C(C)/CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010852
FYIcenter.com

 52 51  0  0  0  0  0  0  0  0999 V2000
   42.4356    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2232    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0107    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7983    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5858    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3734    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6734    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1609    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9485    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7360    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5236    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8236    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3111    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0987    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8863    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6738    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9738    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4614    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1240    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    1.7249    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6742    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5240    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   32.2236    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0734    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2232    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  2  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  6  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 11  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 16  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 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  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 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  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 40  1  0  0  0  0
 43 42  2  0  0  0  0
 44 40  1  0  0  0  0
 45 36  1  0  0  0  0
 46 31  1  0  0  0  0
 47 26  1  0  0  0  0
 48 21  1  0  0  0  0
 49 16  1  0  0  0  0
 50 11  1  0  0  0  0
 51  6  1  0  0  0  0
 52  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010852-3D
FYIcenter.com

138137  0  0  1  0  0  0  0  0999 V2000
   11.7008   11.9935   12.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5870   11.7934   13.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9526   10.5015   13.7790 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6876   10.6571   15.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0923    9.4242   13.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4152   10.1124   13.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8028    8.8058   14.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2085    8.3352   13.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5744    7.0380   13.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    5.8738   14.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0238    6.6651   13.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2850    6.5162   12.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7484    6.1998   11.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9569    6.0370   10.4417 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.4113    5.6650   10.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1304    4.9431   10.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5122    7.3155    9.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6646    7.2662    8.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8964    6.0928    7.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0668    6.0012    6.0430 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.2281    4.8757    5.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5338    7.2028    5.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5625    5.7388    5.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9444    5.8472    4.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6158    7.2145    3.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3237    8.4360    4.3204 C   0  0  3  0  0  0  0  0  0  0  0  0
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   21.1093    8.5425    5.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8578    8.2504    4.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4094    7.9091    2.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0933    9.0379    1.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4409    8.7951    0.4527 C   0  0  3  0  0  0  0  0  0  0  0  0
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   22.6330    7.6752    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9797   10.0520   -0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$