Molecule Editor

Molecule ID: FYI-1016632 Edit

Molecule Structure InChIKey: LRHLFISSLDBMFX-BEUANFRFSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/C/C=C\CC/C=C\C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016632
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1864    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016632-3D
FYIcenter.com

 51 50  0  0  0  0  0  0  0  0999 V2000
    3.0862   -4.0837   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -3.1096   -1.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -3.7637   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3013   -2.7894    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8155   -3.4536    1.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6529   -2.4922    2.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9541   -2.6888    2.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964   -1.7221    3.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -2.3632    4.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6205   -2.5275    5.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1131   -3.1289    6.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034   -4.3084    6.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0531   -4.6183    6.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4266   -3.8685    8.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9700   -4.8260    9.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318   -4.1491   10.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511   -4.7901   11.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1191   -6.2478   11.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9074   -7.0089   10.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6420   -6.6073   12.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9228   -8.0076   12.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7164   -3.6035   -3.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   -4.4250   -1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0530   -4.6452   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103   -4.1117    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7052   -1.9037    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1474   -2.4420   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3889   -4.3532    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9742   -3.7764    2.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595   -1.5926    2.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4502   -3.5901    2.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -0.8323    3.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153   -1.3802    2.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5743   -2.6993    5.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3715   -2.1842    4.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2798   -3.4481    6.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6498   -2.3338    6.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7726   -4.9460    5.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6568   -5.4864    6.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5544   -3.3577    8.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1744   -3.1076    7.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8612   -5.3135    8.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2074   -5.5887    9.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1557   -3.0766   10.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0925   -4.2540   12.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437   -8.2395   13.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6541   -8.2763   11.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0003   -8.5841   12.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  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
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$