Molecule FYI-1002246

A

Molecule Summary:

ID: FYI-1002246
Names:
InChIKey: XGGAAEOHUTWLTC-QZYMEUQESA-L
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Hg]Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

Received at FYIcenter.com on: 2023-02-10

Molecule ID: FYI-1002246 Edit

Molecule Structure InChIKey: XGGAAEOHUTWLTC-QZYMEUQESA-L

Molecule Structure SMILES String: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O[Hg]Oc3c(Cl)cc(Cl)cc3/C=N/c4ccccc4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002246
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    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
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  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 10  1  0  0  0  0
 17  7  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32 22  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 36 21  1  0  0  0  0
 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002246-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
   -1.4525   -3.7134   -2.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -2.3738   -3.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223   -1.4453   -3.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -0.1928   -4.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610    0.1563   -3.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9873   -0.7458   -2.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4839   -2.0358   -2.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -2.9865   -1.8642 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -2.8072   -1.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253   -3.9232   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4801   -5.1793   -0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891   -6.2822    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -7.8262    0.1281 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -6.1654    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0339   -4.9455    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6329   -4.8459    1.3081 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -3.8105   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   -2.6599    0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -0.9171    0.0965 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.2951    0.8256    0.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    1.3092    1.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    0.5773    2.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598   -1.0302    2.6109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2183    1.1153    3.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    2.3785    3.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    3.0437    5.1313 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    3.0971    2.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558    2.5666    1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    3.2685   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337    4.3666   -0.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922    4.8807   -1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397    3.9874   -2.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    4.4558   -3.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    5.8247   -3.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622    6.7287   -2.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4266    6.2728   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    7.2777   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592   -3.7785   -3.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900   -3.8740   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289   -4.5228   -3.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -1.6900   -4.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413    0.5103   -4.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    1.1329   -3.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492   -0.4108   -2.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139   -1.8696   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -5.3166   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291   -7.0257    1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548    0.5465    4.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434    4.0593    2.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.7520   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149    2.9175   -2.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018    3.7514   -4.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601    6.1841   -4.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969    7.7875   -2.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    8.3188   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591    7.1747   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    7.1211    0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  2  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
 21 28  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  2  0  0  0  0
 32 33  2  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 33 52  1  0  0  0  0
 34 35  2  0  0  0  0
 34 53  1  0  0  0  0
 35 36  1  0  0  0  0
 35 54  1  0  0  0  0
 36 37  1  0  0  0  0
 37 55  1  0  0  0  0
 37 56  1  0  0  0  0
 37 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-07, 2853👍, 0💬