Molecule FYI-1003935

A

Molecule Summary:

ID: FYI-1003935
Names:
InChIKey: GFAZGHREJPXDMH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-08-07

Molecule ID: FYI-1003935 Edit

Molecule Structure InChIKey: GFAZGHREJPXDMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003935
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
   43.6477    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4352    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2228    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  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  2  0  0  0  0
 18 16  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003935-3D
FYIcenter.com

108107  0  0  0  0  0  0  0  0999 V2000
   30.0634   23.9930   -4.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9604   23.1544   -5.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5237   22.0685   -4.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4164   21.2276   -4.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9861   20.1464   -3.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8801   19.3075   -4.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4517   18.2260   -3.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3446   17.3888   -4.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9157   16.3069   -3.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8092   15.4673   -3.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3777   14.3855   -2.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2712   13.5402   -3.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8373   12.4562   -2.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7264   11.6038   -3.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2659   10.5067   -2.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6979   11.1023   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7775   11.8844   -0.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3823   10.6760    0.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8773   11.2320    1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3998   12.6526    1.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8410   13.1118    2.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9395   12.6994    1.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4364   14.0412    1.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4151   14.4496    3.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0524   13.7517    4.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9091   15.8729    3.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0495   16.8468    2.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5933   16.8178    3.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7670   17.7942    2.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3152   17.7609    2.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4920   18.7371    1.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0430   18.7002    2.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2209   19.6755    1.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7729   19.6379    1.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9508   20.6120    1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5023   20.5749    1.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6791   21.5496    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290   21.5152    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3972   22.4881    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9512   22.4520    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3778   24.7735   -5.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9317   23.3715   -4.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7171   24.4702   -3.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3160   22.7001   -6.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1069   23.7940   -5.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1700   22.5223   -3.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3773   21.4279   -4.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7668   20.7687   -5.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5590   21.8636   -5.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6339   20.6028   -3.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8417   19.5080   -3.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2309   18.8509   -5.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0230   19.9445   -4.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1019   18.6820   -2.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3082   17.5877   -3.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6947   16.9331   -5.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4884   18.0274   -4.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5654   16.7639   -2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7732   15.6703   -2.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1621   15.0117   -4.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9544   16.1067   -4.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0268   14.8454   -1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2361   13.7515   -2.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6259   13.0848   -4.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4172   14.1796   -3.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4887   12.9252   -1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6967   11.8249   -2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0840   11.1529   -4.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8802   12.2488   -3.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1004    9.8358   -1.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4791    9.9117   -2.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1641   10.5816    2.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768   11.2501    1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0295   13.3233    0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2926   12.6588    3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3353   12.3352    0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3407   12.0523    2.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9531   15.9359    3.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8917   16.1427    4.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1051   16.5994    1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4420   17.8640    2.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5215   17.0768    4.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1816   15.8088    2.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8319   17.5371    1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1652   18.8097    2.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2455   18.0208    3.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9118   16.7473    2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5575   18.4791    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8913   19.7525    1.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9754   18.9591    3.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6416   17.6857    2.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2874   19.4170    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6212   20.6905    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7059   19.8980    2.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3726   18.6228    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0183   20.3517    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3515   21.6269    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4361   20.8345    2.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1029   19.5594    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7469   21.2877   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820   22.5635    0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1664   21.7754    2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8319   20.4985    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4592   22.2268   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7938   23.5040    0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5341   21.4477    0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528   23.1508    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8702   22.7307    1.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4  5  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5 50  1  0  0  0  0
  5 51  1  0  0  0  0
  6  7  1  0  0  0  0
  6 52  1  0  0  0  0
  6 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7 54  1  0  0  0  0
  7 55  1  0  0  0  0
  8  9  1  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 10  1  0  0  0  0
  9 58  1  0  0  0  0
  9 59  1  0  0  0  0
 10 11  1  0  0  0  0
 10 60  1  0  0  0  0
 10 61  1  0  0  0  0
 11 12  1  0  0  0  0
 11 62  1  0  0  0  0
 11 63  1  0  0  0  0
 12 13  1  0  0  0  0
 12 64  1  0  0  0  0
 12 65  1  0  0  0  0
 13 14  1  0  0  0  0
 13 66  1  0  0  0  0
 13 67  1  0  0  0  0
 14 15  1  0  0  0  0
 14 68  1  0  0  0  0
 14 69  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 72  1  0  0  0  0
 19 73  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 74  1  0  0  0  0
 21 75  1  0  0  0  0
 22 23  1  0  0  0  0
 22 76  1  0  0  0  0
 22 77  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 78  1  0  0  0  0
 26 79  1  0  0  0  0
 27 28  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 29  1  0  0  0  0
 28 82  1  0  0  0  0
 28 83  1  0  0  0  0
 29 30  1  0  0  0  0
 29 84  1  0  0  0  0
 29 85  1  0  0  0  0
 30 31  1  0  0  0  0
 30 86  1  0  0  0  0
 30 87  1  0  0  0  0
 31 32  1  0  0  0  0
 31 88  1  0  0  0  0
 31 89  1  0  0  0  0
 32 33  1  0  0  0  0
 32 90  1  0  0  0  0
 32 91  1  0  0  0  0
 33 34  1  0  0  0  0
 33 92  1  0  0  0  0
 33 93  1  0  0  0  0
 34 35  1  0  0  0  0
 34 94  1  0  0  0  0
 34 95  1  0  0  0  0
 35 36  1  0  0  0  0
 35 96  1  0  0  0  0
 35 97  1  0  0  0  0
 36 37  1  0  0  0  0
 36 98  1  0  0  0  0
 36 99  1  0  0  0  0
 37 38  1  0  0  0  0
 37100  1  0  0  0  0
 37101  1  0  0  0  0
 38 39  1  0  0  0  0
 38102  1  0  0  0  0
 38103  1  0  0  0  0
 39 40  1  0  0  0  0
 39104  1  0  0  0  0
 39105  1  0  0  0  0
 40106  1  0  0  0  0
 40107  1  0  0  0  0
 40108  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2005👍, 0💬