Molecule FYI-1016780

A

Molecule Summary:

ID: FYI-1016780
Names:
InChIKey: FETPHRTUOQQIDX-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCCOC(=O)CCCCC(=O)OCCCO1

Received at FYIcenter.com on: 2026-03-12

Molecule ID: FYI-1016780 Edit

Molecule Structure InChIKey: FETPHRTUOQQIDX-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016780
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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
 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  2  0  0  0  0
 16 14  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  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  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
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016780-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    8.9320    1.4107    2.9307 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    0.3027    3.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1874   -0.7806    3.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7304   -1.1647    3.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8562   -0.8696    2.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2756   -1.5174    3.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7017   -1.1696    2.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7264   -1.4409    3.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8441   -0.6113    1.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6761   -0.3054    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5577    0.4470   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0279    0.4321   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4105    1.0821   -1.8023 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496    1.0305   -1.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5201    1.7110   -2.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1251    0.2178   -0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5935   -1.0560   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -1.9588    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -3.1582    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573   -3.9268    2.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6857   -4.6553    3.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9180   -3.6879    1.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4748   -2.7268    2.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971   -1.8135    2.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9986   -0.4559    1.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0244    0.1643    2.9302 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7213   -1.7485    3.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9364   -0.4773    4.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7380   -2.2594    4.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0874   -0.7775    4.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9415    0.2141    2.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5521   -1.2818    1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1808   -2.6042    3.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4294   -1.3356    4.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987    0.3805    1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1411   -1.2610    0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0721   -0.0711   -1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    1.4696   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5780    0.8632    0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051   -0.6197   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7264    0.9316   -0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2111   -0.7192    0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1794   -1.6802   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7882   -2.2810   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0360   -1.3417    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5039   -3.8886    0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860   -2.0647    3.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   -3.1729    3.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -1.6123    3.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311   -2.3004    1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3398   -0.5054    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1578    0.2515    1.9278 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 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  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 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  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 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  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 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 572👍, 0💬