Molecule Editor

Molecule ID: FYI-1006234 Edit

Molecule Structure InChIKey: DEDGUGJNLNLJSR-SOFGYWHQSA-N

Molecule Structure SMILES String: O=C(O)/C(O)=C\c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006234
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006234-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.0762   -1.2766   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    1.3441    0.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    1.5615    0.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -0.6804   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -0.4690    1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551   -0.3087   -1.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865   -1.2882   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    0.1143    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219    0.2747   -1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1684    0.4862    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629   -0.6203   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398    0.8623    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109   -0.7532    2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -0.4670   -2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6884   -2.3752   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517    0.2791    2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050    0.5645   -2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    0.9405    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -2.2333   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    2.3241    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$