Molecule Editor

Molecule ID: FYI-1015306 Edit

Molecule Structure InChIKey: OPFTUNCRGUEPRZ-NRXISQOPSA-N

Molecule Structure SMILES String: C=C[C@@]1(C)CCC(C(=C)C)CC1C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015306
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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
    1.2125    2.1000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
  7 13  1  6  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015306-3D
FYIcenter.com

 39 39  0     1  0  0  0  0  0999 V2000
   -1.1347    0.8718   -0.3773 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6929   -0.6166   -0.5405 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7627    0.0382   -0.4741 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6837   -0.8921    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    1.7992   -0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    1.5085   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030    1.1588   -1.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -1.6150   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376    1.2341    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.2315    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.0704   -0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857   -0.6968   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -2.0698    1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338    1.6481    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896   -0.0665    1.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.8125   -1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405   -0.1652   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -1.9357   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -0.7559    1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    1.6918   -1.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    2.8526   -0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111    2.1481   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    1.8090    0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495    0.8409   -2.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223    2.2339   -1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3048    0.6536   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418    1.1429    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -3.0090   -0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -2.2709   -1.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557   -1.3499   -1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001   -1.6343   -1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806    0.0542   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -0.8735   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -2.7897    1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9160   -1.7544    1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7534    1.8772    2.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180    1.7921    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.2666    1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.2709    2.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  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
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$