Molecule Editor

Molecule ID: FYI-1016741 Edit

Molecule Structure InChIKey: NERJRIARSCJAFR-MDZDMXLPSA-N

Molecule Structure SMILES String: COc2ccc(C(=O)/C=C/c1c(OC)cc(OC)cc1OC)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016741
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1001    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
    6.0620    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1001    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
    3.6372    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
    2.4248    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 O   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  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
  8 13  1  0  0  0  0
 15 16  1  0  0  0  0
  6 15  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016741-3D
FYIcenter.com

 44 45  0     0  0  0  0  0  0999 V2000
   -2.2994    2.0385    1.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -2.4710   -0.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7926    0.2209   -1.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927    0.7396   -1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263   -0.7352    2.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.2195    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    0.9863    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589   -1.2797   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5865    0.0762   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.1350   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8947   -1.1310   -1.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214   -0.3759    0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -0.0425    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606   -0.1102    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -0.3161    1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    0.9314   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0499   -0.7535    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3153    0.4833   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    1.1944   -1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2568   -0.4907    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428    2.1182    2.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -3.4560    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6276   -0.0242   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3947    0.2115   -0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.5327   -0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223   -1.5190    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089    1.9595   -1.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -1.0803    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    2.9796    2.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280    1.2180    3.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213    2.2646    2.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276   -3.7629    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -3.0811    1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6507   -4.3286    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6987    1.6893   -0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3903    1.4192   -1.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8636    2.2898   -1.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4891   -1.0910   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    0.1664   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.3106   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$