Molecule Editor

Molecule ID: FYI-1005047 Edit

Molecule Structure InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005047
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005047-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    2.0562   -1.2312    0.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    1.4993    0.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282    0.1015   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195   -0.3960   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -0.8030   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849    1.4713   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0314   -0.3376   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746    1.0324    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4392   -0.6603    0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    1.9368   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218   -2.6132   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2944    0.3306   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7073   -1.3153   -1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203   -1.8556   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008    2.1861   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    3.0066    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -1.4163    1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4548   -1.0219    0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5094    0.2516    1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -2.8496   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737   -2.9393    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554   -3.1783    0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    2.4707    0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$