Molecule Editor

Molecule ID: FYI-1014441 Edit

Molecule Structure InChIKey: FFEWUCRJSSWEBT-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)c(C(=O)P(=O)(OC(O)c1c(C)cc(C)cc1C)c2ccccc2)c(C)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014441
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   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
    2.4249   10.5000    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 11 20  1  0  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 18 28  1  0  0  0  0
 18 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014441-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    1.8353    0.3422    3.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -0.0887    2.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.1018    3.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -1.5990    2.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540   -2.6377    2.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4356   -1.0796    1.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834   -1.8961    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790   -1.3730   -0.8550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314   -3.6919   -0.0029 P   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3463   -3.9676    0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -3.6436   -1.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572   -2.8650   -1.9669 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8407   -3.2717   -1.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409   -2.8667   -3.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -1.6572   -4.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -0.2859   -3.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717   -1.6746   -5.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1845   -2.8671   -6.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7063   -2.8653   -7.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -4.0611   -5.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -4.0739   -4.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -5.4260   -3.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794   -5.4877   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0622   -7.8032   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487   -6.4405   -0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259    0.0849    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376    0.8866   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3164    0.5450    1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -0.4026    4.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    1.3017    3.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983    0.4351    2.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8384   -0.3228   -2.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8734    0.1794   -3.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$