Molecule Editor

Molecule ID: FYI-1015620 Edit

Molecule Structure InChIKey: CUTXNIOWGGJTME-VXLYETTFSA-N

Molecule Structure SMILES String: COc1ccc(O/C(=C/C#CCCCCCl)CCCCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015620
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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
    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
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  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  3  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  8  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  6  1  0  0  0  0
 24 23  2  0  0  0  0
 24  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015620-3D
FYIcenter.com

 51 51  0  0  0  0  0  0  0  0999 V2000
    3.1102    1.9857    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    1.0710    0.2382 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203    0.5702   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825    0.8392   -2.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    0.2647   -3.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730   -0.5329   -3.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2418   -1.0875   -4.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938   -0.4203   -5.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0306    0.9227   -6.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900    1.6492   -7.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545    2.2947   -8.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9135    3.0243   -9.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312    2.1792  -10.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2799    0.9037  -10.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710    0.0525  -11.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013   -1.4378  -11.8295 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7249   -1.3860   -7.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9596   -1.7274   -7.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1102   -2.4020   -7.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2615   -2.7168   -8.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4554   -3.3666   -7.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4095   -0.2873   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1420    1.5087    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6213    1.4926   -2.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    0.4701   -4.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2913    1.5334   -5.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836    3.9571   -9.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3032   -9.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1927    1.9125  -10.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    2.7823  -11.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.1735  -10.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6250   -0.2396  -11.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    0.5887  -12.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475   -0.9834   -7.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3324   -0.8157   -8.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8685   -2.7131   -6.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1028   -4.1585   -9.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5429   -1.4941   -2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539   -0.5212   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
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  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
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  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  3  0  0  0  0
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 12 31  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$