Molecule FYI-1015900

A

Molecule Summary:

ID: FYI-1015900
Names:
InChIKey: JYHGZZKSOYZWSO-UHFFFAOYSA-N
SMILES: COC(=O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015900 Edit

Molecule Structure InChIKey: JYHGZZKSOYZWSO-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015900
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.2125    7.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   12.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   11.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   12.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   11.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   12.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872   11.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751   13.9989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2753    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    3.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   12.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.4983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    5.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 17 34  1  0  0  0  0
 17 30  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 27 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015900-3D
FYIcenter.com

 65 67  0  0  0  0  0  0  0  0999 V2000
    1.7650    0.2185    0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094   -0.0306    0.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -0.9959    1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -1.6154    2.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   -1.1971    0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9689   -2.1315    1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2515   -2.3490    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6988   -1.6421   -0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0716   -1.9221   -1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8310   -2.7174   -0.5218 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3618   -1.1684   -2.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6760   -1.3437   -2.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7213   -0.4695   -2.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0738   -0.6476   -2.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6303    0.3945   -3.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0473    1.3408   -3.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1196    0.2636   -3.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8239   -0.4019   -2.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2292   -0.4448   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9488    0.1688   -3.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4361    0.0641   -3.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0330    0.1087   -4.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9972   -0.1287   -2.1146 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3445   -0.6517   -2.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4047    0.3508   -1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7092   -0.2811   -1.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9847   -0.9823   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2353   -1.0973    0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3248   -1.6469   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7478   -2.4149    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9741   -3.0995    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8000   -3.0112   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0818   -3.7595   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5090   -4.1713   -1.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7447   -3.9110    0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3816   -2.2501   -1.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1557   -1.5674   -1.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2447    0.8270   -4.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8413    0.8913   -4.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445   -0.7016   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642   -0.4810   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3554    0.9967    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    0.5797    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1558   -0.6829    0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6464   -2.6979    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8963   -3.0815    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5881   -1.0473   -3.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9607   -2.4025   -2.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7470   -0.7348   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4112    0.5814   -2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2881   -0.8806   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7525   -0.9773   -1.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6327   -1.0709   -3.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3279   -1.5006   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1453    0.8071   -0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4819    1.1771   -2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1094   -2.5041    1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2401   -3.7253    1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4030   -3.3890    1.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0078   -2.1990   -2.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8568   -0.9937   -2.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7842    1.2939   -5.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3136    1.4299   -5.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1549   -0.1306   -1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9199    0.2553   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  2  0  0  0  0
  6  7  2  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  2  0  0  0  0
 18 19  2  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  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 37  2  0  0  0  0
 30 31  2  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  2  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 59  1  0  0  0  0
 36 37  1  0  0  0  0
 36 60  1  0  0  0  0
 37 61  1  0  0  0  0
 38 39  1  0  0  0  0
 38 62  1  0  0  0  0
 39 63  1  0  0  0  0
 40 41  1  0  0  0  0
 40 64  1  0  0  0  0
 41 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 934👍, 0💬