Molecule Editor

Molecule ID: FYI-1016107 Edit

Molecule Structure InChIKey: QFHWBORVSIKWCT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016107
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   14.4440    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2316    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0192    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0192    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8067    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1695    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8067    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8067    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0192    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0192    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2316    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2334    9.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485    8.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    8.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    9.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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  2  0  0  0  0
 19 17  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016107-3D
FYIcenter.com

 66 65  0  0  0  0  0  0  0  0999 V2000
    4.4633    1.0315    2.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8265    0.6142    1.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920   -0.5114    0.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938    1.2804    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4807    2.5506    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    3.1871    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1499    4.4480    0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939    4.1565    2.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4444    4.6749    3.2514 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099    3.2517    2.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4390    2.9449    3.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4409    4.0337    3.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5516    4.1901    2.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5535    5.2766    3.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1838    5.0119    4.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5312    4.8625    4.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    4.0437    3.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2658    5.8523    5.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5328    5.2783    6.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3897    4.0095    6.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7754    4.2205    5.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5579    2.9248    5.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4395    2.0509    6.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4432    2.8964    4.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8156    2.7233    5.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4172    1.4409    4.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8828    1.2863    5.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4919   -0.0010    4.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9495   -0.1498    4.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4819   -1.3542    4.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121   -0.8176   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4459    1.5397   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7018    0.5577    0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    2.3115    2.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6848    3.2883    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    3.4361   -0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3569    2.4620    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3622    5.2001    1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005    4.8888    0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9517    1.9806    3.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6763    2.8418    4.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8703    3.7930    4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9097    4.9846    3.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167    4.4318    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0369    6.2388    3.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3096    5.3732    2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6682    6.7681    5.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2022    6.1302    4.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5764    5.0546    6.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0315    6.0347    7.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8595    3.2262    5.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6781    4.5712    4.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8859    2.7211    6.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3737    3.5869    4.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3370    1.4452    3.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8327    0.5835    4.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9565    1.2830    6.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4644    2.1457    4.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4244   -0.0164    3.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9198   -0.8700    4.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
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   25.9404   -2.0864    4.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
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  8  9  2  0  0  0  0
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 21 22  1  0  0  0  0
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 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 28 62  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
M  END
$$$$