Molecule Editor

Molecule ID: FYI-1007340 Edit

Molecule Structure InChIKey: VOYZJYGIHFRNAG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C(C)c1ccc(CC(C)C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007340
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007340-3D
FYIcenter.com

 35 35  0     1  0  0  0  0  0999 V2000
   -3.5411   -1.4765   -0.8363 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7514   -0.5347    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    0.7191   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5501    0.6816   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    0.5740    0.1851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2316    0.6121    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    0.1391   -1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190    1.1893    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135   -1.8099   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2702   -0.3766    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006    0.1043   -1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    1.1545    1.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4033    1.4048   -0.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654   -0.8625    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.5186    1.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942   -0.6410    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357    0.8635   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246    1.6118    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0325    1.0249    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681   -0.2560   -2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    1.6122    1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -1.7220   -1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651   -2.0489   -0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028   -2.6681   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877   -0.2820   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071    0.5148    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835   -1.2415    0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -0.3240   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479    1.5530    2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    1.0101   -1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0616    2.4454   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4902    1.3992   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1142   -0.9408    2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430   -1.5794    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8142   -2.5299    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  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  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$