Molecule FYI-1015839

A

Molecule Summary:

ID: FYI-1015839
Names:
InChIKey: AAWLKHCZJPTHNL-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCCOC(=O)CCCCC(=O)OCCCOC(=O)CCCCC(=O)OCCCO1

Received at FYIcenter.com on: 2025-10-20

Molecule ID: FYI-1015839 Edit

Molecule Structure InChIKey: AAWLKHCZJPTHNL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCCOC(=O)CCCCC(=O)OCCCOC(=O)CCCCC(=O)OCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015839
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
    0.6308    6.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    3.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5153    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7569    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    1.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    2.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1421    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1553    3.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9674    5.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1798    4.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8790    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7464   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885   11.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   12.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5885   12.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6717   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5713   14.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269   15.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9836   15.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   16.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899   17.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   15.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530   15.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085   14.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081   14.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913   12.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   13.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913   11.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342    9.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  2  0  0  0  0
 10  8  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  2  0  0  0  0
 17 15  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  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  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  2  0  0  0  0
 30 28  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  2  0  0  0  0
 36 34  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
 39  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015839-3D
FYIcenter.com

 81 81  0  0  0  0  0  0  0  0999 V2000
    9.6137   -1.5215   -5.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893   -1.5003   -4.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8972   -1.6737   -4.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -2.5160   -5.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7688   -3.5861   -5.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9751   -4.3679   -5.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2555   -5.6600   -6.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3870   -5.9092   -7.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2220   -6.6005   -7.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1669   -6.3022   -6.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7426   -6.7098   -6.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541   -5.7151   -5.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8151   -5.7914   -5.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5603   -5.7489   -3.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6506   -6.4356   -3.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2204   -4.6599   -2.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6933   -4.5151   -2.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1518   -3.3456   -1.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5834   -2.7887   -1.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5549   -1.9520   -0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7592   -2.2121   -0.9773 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1652   -0.8119   -0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8006   -0.4559   -0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4305    0.7126    0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9093    0.6975    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2063    1.5321    1.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8686    1.3639    1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    2.1220    2.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0272    0.3501    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6043   -0.9652    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5783   -1.9852   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613   -3.0873   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269   -3.4856   -2.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7557   -3.5905   -3.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657   -3.4803   -1.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3550   -2.6613   -2.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6933   -1.2007   -2.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0972   -0.5088   -3.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5079   -1.1249   -3.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0692   -1.7355   -3.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1710   -0.6235   -4.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7741   -2.0465   -4.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5690   -1.8196   -6.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4547   -2.8398   -4.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6087   -4.3126   -4.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5901   -4.7375   -5.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5944   -3.5983   -6.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0624   -5.2302   -6.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5149   -6.4759   -5.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5649   -7.7553   -6.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3332   -6.5810   -7.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3685   -4.7023   -5.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7141   -5.9142   -4.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7037   -4.8458   -1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9280   -3.6935   -3.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1607   -4.3022   -3.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0743   -5.4685   -2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1157   -3.7088   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4329   -2.5244   -1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5226   -2.1681   -2.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1812   -3.6710   -2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2602   -1.3304    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966   -0.2170   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8428    1.6695    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8095    0.5494    1.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6994   -0.3150    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625    0.9032   -0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    0.9038    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1995    0.0778    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2087   -1.4633    1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2178   -0.7395   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8159   -1.4485   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0529   -2.4206    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4539   -3.9590   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029   -2.7232   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   -3.1770   -3.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4624   -2.6128   -1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251   -0.6115   -1.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9891   -0.9377   -3.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9212    0.2562   -3.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2362    0.0999   -2.2315 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 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  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
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 31  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 32 33  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 38  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 38 39  1  0  0  0  0
 38 80  1  0  0  0  0
 38 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 782👍, 0💬