Molecule Editor

Molecule ID: FYI-1016738 Edit

Molecule Structure InChIKey: ZUENFIKMFIFRKU-RTVRGBPTSA-N

Molecule Structure SMILES String: CC(C)(C)[C@@H]2CC[C@]1(C)OC1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016738
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    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
    3.6373    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  1  1  0  0  0  0
  1  8  1  6  0  0  0
  4  9  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016738-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    1.0170   -0.1054   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444   -0.0050   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160   -0.5593    1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568   -0.9413   -0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.4771   -0.0154 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1029    2.4169    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    3.7909    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    4.4743   -0.3238 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1810    5.9508   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    4.1532   -1.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    3.5783   -1.4848 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2574    2.0684   -1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   -1.1456   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653    0.2512   -1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2965    0.4678   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906   -1.6025    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7199   -0.0102    2.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4098   -0.5092    1.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302   -1.9861   -0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3933   -0.8908   -0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3390   -0.7010   -1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    1.4476    0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9436    2.0196    1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159    2.5215    0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067    3.6905    1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014    4.3983    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.4232    0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976    6.4197   -1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    6.1772    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    3.9576   -2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    1.6545   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    1.7593   -2.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
$$$$