Molecule Editor

Molecule ID: FYI-1016272 Edit

Molecule Structure InChIKey: OPZIPKGOCDNSCO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC1CC2CCC=C1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016272
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.3467    3.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    3.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    1.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503    3.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022    3.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    3.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038    2.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.5440    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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016272-3D
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    0.9921   -0.3365    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -0.2573   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812   -0.5160   -1.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984    0.1830    0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    0.5620   -0.0682 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3228   -0.6088   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7502    0.0211   -0.6193 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6755   -0.3275    0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0959    0.1127    1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845    1.0421    1.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    1.3998    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4976    1.5181   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -0.8859    0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181    0.6719    0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643   -0.8725    1.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412    1.1329   -0.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9894   -1.0180   -1.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -1.4358    0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298   -0.2420   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6324    0.1957    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9157   -1.3963    0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    0.5591    2.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7702   -0.7993    2.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    0.8537    2.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3760    2.1065   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    1.9562   -1.3890 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  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  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  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$