Molecule Editor

Molecule ID: FYI-1016082 Edit

Molecule Structure InChIKey: WVKXFBYBSIJUBM-IHZSPXKISA-N

Molecule Structure SMILES String: C/C(=C\C(=O)O/C=C/F)CC[C@H]2[C@](C)(O)CC[C@H]1C(C)(C)CCC[C@@]12C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016082
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    6.2497    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598    7.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768    8.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9621    8.5191    0.0000 F   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  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 16  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
 22 15  1  0  0  0  0
 22  9  1  0  0  0  0
 22 23  1  6  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016082-3D
FYIcenter.com

 61 62  0  0  1  0  0  0  0  0999 V2000
    3.3073    6.7697    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643    5.8907    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7675    6.1853    2.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5271    7.4701    3.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1944    8.5210    2.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    7.2417    4.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213    8.3346    5.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    8.2864    6.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110    9.3402    7.6167 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246    4.6703    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085    3.4688    1.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5264    2.3848   -0.1518 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0530    2.9444   -1.5426 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4989    3.4743   -1.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858    4.0018   -1.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8738    1.9122   -2.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4550    0.5542   -2.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243    0.0042   -1.0382 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0308   -1.5393   -0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5054   -1.9776   -0.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059   -2.2878   -2.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -2.0127    0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108   -1.1685    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4029    0.3202    1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1274    0.9379    0.2080 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6223    1.0455    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    7.6603    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    6.1987    0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7854    7.0970   -0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4456    5.5019    3.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1230    9.2202    5.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    7.4469    7.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470    5.1488   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.2488    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971    3.0292    1.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    3.8105    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534    2.1933   -0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6615    4.2509   -2.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2356    2.6951   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0851   -1.6420   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2563   -1.9815   -2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3213   -3.3719   -1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2658    1.2675   -0.2681 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 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
 10 11  1  0  0  0  0
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 25 26  1  1  0  0  0
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M  END
$$$$