Molecule Editor

Molecule ID: FYI-1015619 Edit

Molecule Structure InChIKey: VCRFSDCEYWTBBP-GIJQJNRQSA-N

Molecule Structure SMILES String: OCCCCC/C(=C\C#CCCCCCl)Oc1ccc(F)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015619
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  3  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  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015619-3D
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
    6.5449    0.5854   -4.3723 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2093    0.3873   -3.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6983    1.5845   -2.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    1.4429   -0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691    2.6538    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5087    2.5238    1.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    3.6820    2.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    3.5558    3.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5507    2.3638    3.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1884    1.3924    4.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9655    0.2173    4.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4445    0.5574    4.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2069   -0.6646    5.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6789   -0.3547    5.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5207   -1.8002    6.0468 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    4.9023    2.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662    6.0690    2.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481    6.1397    1.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2253    7.3432    2.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100    8.4789    2.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1619    9.6323    2.6709 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1284    8.4365    2.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4527    7.2264    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2132   -0.1856   -4.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6850   -0.5364   -2.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8381    0.5298   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2896    1.3342   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.5663   -0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9562    2.7476   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827    1.5653    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    2.4799    1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1055    4.4225    4.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -0.5670    3.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5475   -0.1821    5.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5449    1.3847    5.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8836    0.8999    3.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1082   -1.4851    4.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7515   -1.0037    6.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8065    0.4393    6.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707   -0.0502    4.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1108    5.2610    1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3022    7.3975    1.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    9.3417    2.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3754    7.1822    2.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
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  9 10  3  0  0  0  0
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 23 47  1  0  0  0  0
M  END
$$$$