Molecule Editor

Molecule ID: FYI-1006516 Edit

Molecule Structure InChIKey: PMJSUEZTCFTBMD-HZJYTTRNSA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/CCCCCCCCCC(=O)OC(CO)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006516
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   15.8145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0269    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0269    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4518    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4518    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2394    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0269    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8145    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6021    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3896    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1772    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7523    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3274    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1150    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9026    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656    8.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   11.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006516-3D
FYIcenter.com

 69 68  0  0  0  0  0  0  0  0999 V2000
   10.1343   18.9691   -1.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2172   17.9009   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   16.6184   -1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6052   15.5377   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9074   14.2691   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9720   13.1432    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106   11.9415    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6242   11.5745   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028   10.3911   -1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    9.5523   -2.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9891    9.7584   -2.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3256    8.7788   -3.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    9.0403   -3.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995   10.4280   -4.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978   10.6776   -4.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   12.0804   -4.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2479   12.3772   -5.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366   13.7787   -5.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   14.1251   -5.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086   15.5708   -6.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976   16.3663   -6.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   15.8793   -6.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228   17.3001   -6.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   18.0180   -7.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8017   17.5694   -8.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7017   17.4302   -5.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545   16.7569   -4.5218 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6379   19.8816   -1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0922   19.2171   -1.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6146   18.6312   -2.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7543   18.2767    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2697   17.6940   -0.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6551   15.3225    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 63  1  0  0  0  0
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M  END
$$$$