Molecule Editor

Molecule ID: FYI-1015272 Edit

Molecule Structure InChIKey: PPNGALBGZJBTRY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c2cccc(C(=O)c1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015272
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015272-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
   -1.0799    1.3777    1.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6580   -1.1222   -0.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    0.8603    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504   -0.0938   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -0.1406    0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540    0.8119    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878    0.1357    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6769    1.9055   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.9527   -0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    1.9522   -1.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -0.5007   -0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225    0.1226    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268   -1.1365    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282   -1.1504   -1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4101   -0.5271    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2630   -1.1636   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -2.2837    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071   -0.9378    1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492    2.6857   -0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8438    1.0112   -1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    2.7671   -1.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9983   -0.5154   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4639    0.6105    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9142   -1.6463   -2.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3717   -0.5376    0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1098   -1.6695   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -2.8559    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9713   -1.8991    2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434   -2.9572    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$