Molecule Editor

Molecule ID: FYI-1016062 Edit

Molecule Structure InChIKey: SPFLKCBCDDPJHX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C(=O)OCC(=O)OC(C)C(=O)OCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016062
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929    2.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    2.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8274    1.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8835    3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0840    1.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4684    1.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5598    0.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6415    2.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9661    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2919    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5571    1.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6542    2.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8810    1.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1467    0.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1049    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    3.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8985    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3628    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5198    2.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3667    4.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7270    1.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9573    2.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9895    4.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1586    1.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1561    0.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3689    2.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1558    3.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4633    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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  2  0  0  0  0
 19 21  1  0  0  0  0
 11 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 16 33  2  0  0  0  0
 24 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016062-3D
FYIcenter.com

 60 59  0  0  1  0  0  0  0  0999 V2000
   17.7345   10.1852   -1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9063   11.4181   -1.1017 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.3157   12.4991   -1.9229 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3804   11.0241   -0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0044    9.8657   -0.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5340   12.1062   -0.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1021   11.8699   -0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1379   11.5226   -1.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3166   11.7851   -3.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399   11.0310   -1.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1642   10.1169   -2.3017 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9397   10.4531   -3.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    8.7253   -2.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4612    8.4379   -1.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4004    7.8080   -3.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    6.5171   -2.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5074    6.4656   -2.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1659    5.6338   -2.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0129    7.4303   -3.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4435    7.6117   -3.6475 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0905    6.5505   -4.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6486    8.9542   -4.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7602    9.5935   -4.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9608    9.3422   -4.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2668   10.6899   -4.7645 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.2812   10.8421   -6.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3720   11.7223   -4.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6511   11.4044   -3.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5936   13.0083   -4.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9075   13.9915   -3.6473 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.9286   15.0366   -3.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7226   14.6063   -4.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6315   15.7885   -4.6912 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7338   13.7265   -4.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6599   10.4423   -2.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1785    9.4961   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0068    9.6189   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2702   11.7276   -0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1597   12.3238   -2.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7091   12.8402   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9101   11.1651    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1658   10.0944   -1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8545   10.3731   -4.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5329   11.4597   -3.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2270    9.7492   -4.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5926    6.0880   -1.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8420    7.6404   -2.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7668    6.6777   -5.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8106    5.5381   -4.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1815    6.6372   -4.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2761   10.8723   -4.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2640   10.9247   -6.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7733    9.9907   -6.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8132   11.7623   -6.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   13.5814   -2.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4858   15.4260   -4.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6687   14.5950   -2.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4668   15.8647   -2.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8135   12.8318   -4.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 19 20  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 60  1  0  0  0  0
M  END
$$$$