Molecule Editor

Molecule ID: FYI-1014442 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-1014442
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
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    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-1014442-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    1.7525    2.2704    1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746    1.1549    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3992    1.0685    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3555    0.0584    1.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987    0.0436    2.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -0.8827    0.3242 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
   -3.2954   -1.4773   -0.3190 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
   -2.2268   -3.6955    1.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845   -4.0336   -0.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0561   -3.7492   -2.3404 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0578   -4.5833   -2.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -3.9196   -3.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176   -3.3700   -4.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576   -2.5625   -5.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2747   -3.5787   -5.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3897   -4.3368   -5.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5085   -4.5537   -6.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4403   -4.8976   -3.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4045   -4.7100   -2.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5531   -5.3866   -1.5670 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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    0.9942    0.2127   -0.1531 C   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
$$$$