Molecule FYI-1015822

A

Molecule Summary:

ID: FYI-1015822
Names:
InChIKey: YUVYOOYTFLJSHY-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)C(Nc2ccc1[nH]c(=O)oc1c2)c3c(OC)cc(OC)cc3OC

Received at FYIcenter.com on: 2025-10-15

Molecule ID: FYI-1015822 Edit

Molecule Structure InChIKey: YUVYOOYTFLJSHY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(=O)(OCC)C(Nc2ccc1[nH]c(=O)oc1c2)c3c(OC)cc(OC)cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015822
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4456   13.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   12.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2001    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    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
    8.3150   11.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   12.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 21  2  0  0  0  0
 29  6  1  0  0  0  0
 30 29  2  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32  2  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015822-3D
FYIcenter.com

 59 61  0  0  1  0  0  0  0  0999 V2000
    2.8816   -3.6473   -0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -2.2720   -1.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -1.2130   -0.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036   -1.2130   -0.6833 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001   -0.6652    0.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7472    0.0930   -1.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4823    0.6953   -2.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313    1.8478   -3.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6336   -1.2130   -0.6833 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4276   -0.8138    0.5361 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1071    0.3158    1.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0379    0.1864    2.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6473    1.2459    3.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3553    2.4288    2.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9452    3.6288    3.4329 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    4.4897    2.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    5.6546    2.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    3.8693    1.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312    2.5869    1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959    1.5530    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572   -2.5056   -1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162   -2.5072   -2.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4503   -1.3993   -3.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1311   -0.3501   -2.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5671   -3.7183   -2.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -4.9340   -2.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051   -6.1803   -2.7666 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982   -6.2478   -4.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4134   -4.9380   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545   -3.7427   -0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768   -3.7048    0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0695   -4.9255    1.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -4.4219   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -3.7658    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9556   -3.8117   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -2.1521   -1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -2.1730   -2.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925    1.0392   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568   -0.0479   -2.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959    2.6915   -2.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    2.1823   -3.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    1.5412   -4.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8517   -0.4409   -1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -1.6163    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2248   -0.7804    3.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534    1.1148    4.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7720    3.8785    4.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117    1.7022   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9447    0.0070   -3.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -0.6554   -1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    0.4994   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1942   -3.6758   -3.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2538   -7.3006   -4.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2196   -5.8732   -3.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6632   -5.7127   -4.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1557   -5.9067   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -4.7154    2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0555   -5.3369    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688   -5.6608    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  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
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  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 21  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 28  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 707👍, 0💬