Molecule FYI-1014346

A

Molecule Summary:

ID: FYI-1014346
Names:
InChIKey: WGMPGOIMDPTOAX-ZNVPEIAMSA-N
SMILES: O=N(=O)c4ccc(N/N=C/c1ccccc1)c([N+](=O)O[Zn]O[N+](=O)c3ccc(N/N=C/c2ccccc2)c(N(=O)=O)c3)c4

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014346 Edit

Molecule Structure InChIKey: WGMPGOIMDPTOAX-ZNVPEIAMSA-N

Molecule Structure SMILES String: O=N(=O)c4ccc(N/N=C/c1ccccc1)c([N+](=O)O[Zn]O[N+](=O)c3ccc(N/N=C/c2ccccc2)c(N(=O)=O)c3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014346
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
   18.1865    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1243   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   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
    4.8498    9.1000    0.0000 C   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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 29  1  0  0  0  0
 40 39  2  0  0  0  0
 40 26  1  0  0  0  0
 41 28  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014346-3D
FYIcenter.com

 63 66  0  0  0  0  0  0  0  0999 V2000
    1.4835    1.2742   -0.1994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.7504   -0.1935 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    0.7251    0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    0.1717   -1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3544    0.1843   -2.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -0.3957   -3.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532   -0.9749   -3.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6316   -1.6074   -4.9514 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -2.1244   -5.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604   -2.7714   -6.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4215   -3.5164   -7.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267   -3.6087   -7.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -4.3697   -8.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   -5.0364   -9.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041   -4.9449   -9.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0528   -4.1911   -8.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9223   -0.9635   -2.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2455   -1.4974   -2.4742 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.8518   -1.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0531   -1.4013   -3.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7808   -2.1422   -3.4767 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   10.5085   -2.8831   -3.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.1360   -3.0796 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.3040   -1.0364   -2.6696 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8528   -2.6745   -3.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2337   -3.8084   -3.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5377   -4.3204   -3.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4864   -3.7397   -2.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7776   -4.3429   -2.6306 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3319   -5.1638   -3.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5071   -5.6700   -3.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2041   -6.4939   -4.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6544   -6.7440   -5.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3556   -7.5245   -6.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6044   -8.0602   -6.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1592   -7.8123   -5.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4656   -7.0311   -4.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1110   -2.5689   -2.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9946   -1.8545   -1.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1561   -2.1090   -1.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5814   -0.9355   -0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008   -2.0671   -2.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.4187   -1.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726    0.6383   -2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -0.3797   -4.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020   -1.9161   -5.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397   -2.8475   -7.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -3.1095   -6.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -4.4490   -8.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3418   -5.6276  -10.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013   -5.4629  -10.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1287   -4.1399   -9.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5277   -4.2961   -4.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7947   -5.2015   -4.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3296   -4.1654   -1.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0345   -5.4728   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6912   -6.3348   -5.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9320   -7.7149   -7.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437   -8.6658   -7.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1274   -8.2247   -4.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9145   -6.8480   -3.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5003   -1.1887   -1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348   -0.4275   -0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  2  0  0  0  0
  5  6  2  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  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
 14 15  2  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  2  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 38  2  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
 33 34  2  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 58  1  0  0  0  0
 35 36  2  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 42  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 42 62  1  0  0  0  0
 43 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 801👍, 0💬