Molecule Editor

Molecule ID: FYI-1016712 Edit

Molecule Structure InChIKey: WTUFOKOJVXNYTJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2C1C3CC4C1C(=O)C5C2C3C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1016712
FYIcenter.com

 13 17  0  0  0  0  0  0  0  0999 V2000
    2.7378    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7378    3.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    3.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    3.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7378    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    3.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    1.6196    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
  5 11  2  0  0  0  0
  2 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016712-3D
FYIcenter.com

 23 27  0  0  1  0  0  0  0  0999 V2000
    1.8962    0.8699    0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4955   -0.1857    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404   -1.2205   -0.9669 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1543   -1.5817   -0.8246 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2242   -3.0344   -1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623   -3.4936   -0.2755 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9399   -2.5676   -0.5766 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3076   -2.4838    0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189   -2.6040    1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470   -2.2068    1.7658 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2514   -0.8526    1.3697 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3941   -1.6662    0.7115 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7078   -2.9832    1.0921 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3716   -0.8542   -1.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298   -0.8872   -1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2028   -3.4845   -1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391   -3.1839   -2.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -4.5604   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738   -2.9588   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958   -2.3812    2.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -0.1899    2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4104   -1.5208    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801   -3.6817    1.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$