Molecule FYI-1016295

A

Molecule Summary:

ID: FYI-1016295
Names:
InChIKey: HNMWFPUPXUBNGS-UHFFFAOYSA-N
SMILES: CCOC(=O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)O)cc1)cc2

Received at FYIcenter.com on: 2025-12-02

Molecule ID: FYI-1016295 Edit

Molecule Structure InChIKey: HNMWFPUPXUBNGS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2ccc(C(=O)OCCCCOC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016295
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
   15.7618    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  7  1  0  0  0  0
 17 16  2  0  0  0  0
 17  4  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  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
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016295-3D
FYIcenter.com

 52 53  0  0  0  0  0  0  0  0999 V2000
    4.4711    0.8480   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032   -0.0727    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -0.4162    1.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316   -1.4971    2.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5086   -2.3613    1.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682   -1.4058    3.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178   -2.3965    3.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -2.2851    5.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -1.1808    6.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1902   -1.0861    7.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9484   -1.9184    7.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    0.0400    8.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2638    0.2558    9.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -0.4934   10.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079   -0.2862   11.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0632   -1.0459   12.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986   -0.5973   12.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4253    0.5081   13.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    1.1309   14.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989    0.9051   13.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560    2.0653   14.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357    2.5076   13.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.7787   13.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0579    2.2193   12.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    1.9832   11.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159    2.8661   13.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    0.6217   12.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024    0.1836   12.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427   -0.1974    5.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -0.3120    4.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4516    1.1815   -1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4243    0.3438    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458    1.7258    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024   -0.9575   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584    0.4567    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7021   -3.2475    3.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020   -3.0553    5.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075    1.3342    9.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3211   -0.0261    9.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3953   -1.5634   10.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3650   -0.1567   10.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912    0.7854   12.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -0.6228   11.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4843   -0.9499   13.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0551   -2.1151   12.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485    2.6430   14.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    3.4393   14.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1111    2.8350   14.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018    0.0632   11.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -0.7138   12.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763    0.6749    6.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778    0.4784    3.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  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
  6 30  2  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  2  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 219👍, 0💬