Molecule Editor

Molecule ID: FYI-1006524 Edit

Molecule Structure InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006524
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006524-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    1.9517   -0.0250    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430   -0.0336   -0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880   -0.0089   -0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775   -0.0136   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948    0.0408    0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302   -1.2125   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    1.2032   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447   -1.1943    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240    1.2213    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916    0.0226    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8013   -0.9063    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841    0.8544    0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -0.9187   -1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1104    0.8310   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5730   -0.9027   -0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    0.8616   -0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -0.8318    1.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2579    0.9420    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4149    0.0499    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344   -2.1654   -0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976    2.1421   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643   -2.1276    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9277    2.1688    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1149    0.0368    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$