Molecule Editor

Molecule ID: FYI-1016715 Edit

Molecule Structure InChIKey: SBKPSHZVULRXED-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1C2C=CC1C3C(=O)OC(=O)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016715
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    4.8347    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    4.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    4.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3982    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796    2.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388    0.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    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  2  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  0  0  0  0
  7  1  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  5  9  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016715-3D
FYIcenter.com

 23 25  0     1  0  0  0  0  0999 V2000
    2.2077    0.0002    0.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9029    2.2660    0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -2.2658    0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    1.1176   -0.0634 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0155   -1.1176   -0.0631 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0966    0.0001    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    0.7705   -0.7882 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3080   -0.7707   -0.7880 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1248    0.6714   -0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -0.6718   -0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    0.0001    1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416    1.1300   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418   -1.1299   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084    2.1316    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -2.1316    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    0.0001    1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    1.1779   -1.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -1.1783   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    1.3136   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566   -1.3141   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825    0.0001    1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311   -0.8856    2.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312    0.8858    2.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$