Molecule Editor

Molecule ID: FYI-1006518 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-1006518
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-1006518-3D
FYIcenter.com

 69 68  0  0  0  0  0  0  0  0999 V2000
   10.0391   18.0092   -6.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1438   17.2375   -5.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458   15.8855   -5.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5573   15.1113   -3.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   13.7656   -4.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9308   12.9322   -2.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3873   11.7087   -2.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6097   11.0453   -3.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    9.7243   -4.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4539    8.7202   -4.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9790    8.8744   -5.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134    7.6655   -5.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8056    7.8843   -5.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893    9.0784   -6.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894    9.2882   -6.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   10.4994   -7.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   10.7516   -7.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150   11.9550   -8.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   12.2363   -9.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6426   13.4832   -9.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341   14.1897  -10.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698   13.7599  -10.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2604   15.1544  -10.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699   15.5275  -11.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8191   14.8187  -12.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7417   15.3707  -10.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0005   15.0336   -8.7080 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5452   18.9744   -6.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9926   18.1950   -6.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5052   17.4548   -7.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6946   17.8276   -4.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2006   17.0914   -4.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6126   14.9584   -3.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
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  6  7  2  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
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 26  1  0  0  0  0
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 27 69  1  0  0  0  0
M  END
$$$$