Molecule Editor

Molecule ID: FYI-1006428 Edit

Molecule Structure InChIKey: QQISQVCIFCTSOB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCC(CC)OC(=O)c1cc(F)cc(C(F)(F)F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006428
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   21.8239    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   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
    1.2124    4.9000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    3.8249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  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  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  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 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006428-3D
FYIcenter.com

 63 63  0  0  1  0  0  0  0  0999 V2000
    0.8771    0.3488    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    0.3170    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -1.0471    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.0911    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -2.4601    1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4905   -2.4949    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0389   -3.8530    1.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607   -3.8483    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1370   -5.1956    2.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6636   -5.2161    1.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1678   -6.6021    2.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6923   -6.7502    2.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1251   -8.1677    2.7342 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6537   -8.3161    2.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1616   -9.6995    3.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6796   -8.3752    4.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8038   -9.3865    4.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825  -10.1678    3.4775 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3909   -9.4374    5.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8676   -8.5321    6.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3996   -8.5879    7.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8495   -7.7063    8.8929 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4700   -9.5445    8.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9849  -10.4739    7.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9645  -11.5136    7.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6074  -11.4185    9.1846 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087  -11.4216    7.1639 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4162  -12.7851    7.7016 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4502  -10.4106    6.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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 19 29  2  0  0  0  0
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 29 63  1  0  0  0  0
M  END
$$$$