Molecule FYI-1016822

A

Molecule Summary:

ID: FYI-1016822
Names:
InChIKey: PYCWLQLQMHCBEY-UHFFFAOYSA-N
SMILES: O=C2CCCCCCCCC(=O)OCCOC(=O)c1ccc(cc1)C(=O)OCCO2

Received at FYIcenter.com on: 2026-03-18

Molecule ID: FYI-1016822 Edit

Molecule Structure InChIKey: PYCWLQLQMHCBEY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCCCCCC(=O)OCCOC(=O)c1ccc(cc1)C(=O)OCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016822
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.4612    8.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    6.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446    5.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    2.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    0.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6009    6.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0411    7.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2536    8.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    8.9647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1487    9.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9108   10.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5586   10.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1596   10.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550   12.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7839   10.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   10.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    9.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7695    5.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292    4.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7204    3.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5518    5.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9921    6.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9243    2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3076    2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9301    1.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188    0.3605    0.0000 C   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  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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
 20  1  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016822-3D
FYIcenter.com

 58 59  0  0  0  0  0  0  0  0999 V2000
   -0.3292    7.3973   -0.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033    8.0604   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    9.6646   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941   10.4944    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   11.8085    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   11.8439    2.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641   10.8524    3.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628    9.9074    3.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843    8.6089    3.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2289    7.3204    4.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    6.2991    4.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017    5.1442    4.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    6.5989    4.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    7.7445    3.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    7.4935    3.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    8.6877    2.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754    8.8255    1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1973    9.8668    1.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791    7.7147    1.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9089    7.7751    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904    6.6303    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    5.4160    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139    5.4084    2.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881    6.5762    2.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6281    4.4343   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516    3.3781   -0.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    5.0723   -0.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    4.9843   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    5.9656   -0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    7.4455   -0.1997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874    9.9556   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787   10.0014    0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420    9.8394    0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   10.8954   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849   12.0153    1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858   12.6766    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972   11.6710    1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474   12.8422    2.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   11.3527    4.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7719   10.2377    2.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295    9.8143    3.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0043   10.2466    4.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0074    8.9237    4.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698    8.3452    2.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    6.8762    4.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4581    7.4937    5.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    8.6242    4.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    7.9410    2.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919    6.6394    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247    7.2995    3.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0150    8.6739    0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1928    6.6396   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121    4.4700    2.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088    6.5009    3.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019    3.9808   -0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    4.9328    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1959    5.5367    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    5.8339   -1.5211 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 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  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 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 474👍, 0💬