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
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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    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
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 25 24  1  0  0  0  0
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 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
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    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
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    1.5400    3.0971    2.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
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  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
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 15 16  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
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 27 49  1  0  0  0  0
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 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
$$$$

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2023-03-07, 3229👍, 0💬