Molecule Editor

Molecule ID: FYI-1005589 Edit

Molecule Structure InChIKey: WCQFXNQALHURHS-BUHFOSPRSA-N

Molecule Structure SMILES String: CCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005589
FYIcenter.com

 26 26  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
    0.0000    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.7001    0.0000 O   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
    4.8498    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    4.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    4.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    4.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5688    4.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7579    3.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9924    4.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1815    3.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4160    4.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6051    3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8396    4.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0287    3.7276    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
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005589-3D
FYIcenter.com

 62 62  0     0  0  0  0  0  0999 V2000
    4.3115    0.1813    1.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    0.9114    1.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    1.6094   -1.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3291   -2.9055   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344   -2.4137   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4942   -1.9832   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8202   -3.4049   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4278   -0.6133    0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806   -2.8792   -0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6587    0.2318   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382   -3.8383   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5600   -2.1167    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7343    2.6325    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986    0.2110    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811    2.3580   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693    1.7545    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503    2.7081   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    1.5012    0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$