Molecule Editor

Molecule ID: FYI-1016544 Edit

Molecule Structure InChIKey: BBFCIPUBASELBS-UWVGGRQHSA-N

Molecule Structure SMILES String: C=C[C@H]1CCCC[C@@]1(O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016544
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8177    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    0.0000    0.0000 O   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
  4  7  1  1  0  0  0
  5  8  1  1  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016544-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
    0.7799    1.1959   -1.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312    0.6480   -0.3626 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3367   -0.8505   -0.1793 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4899    0.7769   -0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6755   -1.5993    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4859    0.0356    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057   -1.4326    0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809    1.4862    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301   -1.0563    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633    2.4879    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975   -1.6918   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905   -1.3110   -1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5685    0.3896   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    1.8335   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6162   -1.2429    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -2.6689    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878    0.1076   -0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    0.5089    1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8007   -1.9231    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096   -1.9387   -0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080    1.2576    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -0.6863    1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954    2.0441   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616    3.0417    1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077    2.7883    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -1.8171    0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319   -2.0950   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$