Molecule Editor

Molecule ID: FYI-1016377 Edit

Molecule Structure InChIKey: RLQKFWWEPISRCK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(CC1=CC(C)C=C(C(C)(C)C)C1=O)c(O)c(C(C)(C)C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016377
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.9119    5.6000    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
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.3876    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
    1.9124    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016377-3D
FYIcenter.com

 57 58  0     1  0  0  0  0  0999 V2000
   -1.2875    1.3287    1.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    1.2439    1.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5918    1.7877   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0770    0.4166   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    1.4458   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -2.0970   -0.3970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2854   -1.0362    0.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    0.1959   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0210   -1.1081    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741   -0.7036   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    0.3185    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111   -1.0330    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8654    1.6864   -1.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196    2.5723   -1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1285    1.2540   -1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.8675    1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    2.6988   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921   -0.9290   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3 16  1  0  0  0  0
  4 10  2  0  0  0  0
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  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
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  6 22  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 29  1  0  0  0  0
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 25 56  1  0  0  0  0
M  END
$$$$