Molecule Editor

Molecule ID: FYI-1016588 Edit

Molecule Structure InChIKey: BUUFPCGNCPIJMQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2CC1C(=O)OC(C1C)C2I

Download SDF Download SVG Structure in 2D SDF:

FYI-1016588
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.7451    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606    4.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    4.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952    5.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    5.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7129    0.0000 I   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016588-3D
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    0.6276    0.0431   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    0.2685   -0.1861 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7278    1.4758   -0.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386    1.6112   -0.6188 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9855    0.8312   -1.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3414    1.2417   -2.7661 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783   -0.4450   -1.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5027   -0.5735    0.0601 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7299    0.8395    0.6041 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1482    1.2488    1.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -0.9706   -0.1480 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7561   -2.2795   -1.8994 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    0.9117   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -0.8270   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176   -0.0902   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    0.5527    0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    2.3869   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441    1.4161   -1.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769    2.6503   -0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288   -1.3306    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203    0.9810    0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839    1.7599    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    1.9801    2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620    0.3954    2.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -1.5803    0.7108 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  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$