Molecule Editor

Molecule ID: FYI-1016589 Edit

Molecule Structure InChIKey: BUUFPCGNCPIJMQ-XSCIDGEOSA-N

Molecule Structure SMILES String: C[C@@H]2CC1C(=O)OC([C@H]1C)C2I

Download SDF Download SVG Structure in 2D SDF:

FYI-1016589
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  1  0  0  0
  6 11  1  1  0  0  0
  5 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016589-3D
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    0.7591    0.1065   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148    0.2537   -0.0913 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9024    1.5001   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848    1.5896   -0.2653 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2046    0.9614   -1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308    1.5170   -2.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548   -0.3697   -1.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124   -0.6733    0.1176 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7177    0.6423    0.8906 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1003    0.8881    1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145   -1.0128   -0.1951 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9052   -2.0797   -2.0795 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.1839    0.9813   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049   -0.7720   -0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439    0.0287   -1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1221    0.4537    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3786    2.3945   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.4982   -1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    2.6180   -0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034   -1.5084    0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.7160    1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181    0.6433    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2235    0.2704    2.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065    1.9352    1.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.7060    0.5818 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  1  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  1  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
$$$$