Molecule FYI-1002500

A

Molecule Summary:

ID: FYI-1002500
Names:
InChIKey: OYUPJOPPNUQQOP-QZYMEUQESA-L
SMILES: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Hg]35Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002500 Edit

Molecule Structure InChIKey: OYUPJOPPNUQQOP-QZYMEUQESA-L

Molecule Structure SMILES String: Cc1ccccc1[N+]3=Cc2cc(Cl)cc(Cl)c2O[Hg]35Oc4c(Cl)cc(Cl)cc4C=[N+]5c6ccccc6C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002500
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
    4.7695    8.9494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    8.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    8.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    6.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    4.8189    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    4.1305    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6918    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0048    3.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087    4.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    3.4421    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4228    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3848    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    2.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1923    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2043    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5771    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9619    5.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    4.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    2.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7314    2.7537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    4.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    5.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3466    6.8841    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  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 19  7  1  0  0  0  0
 20 10  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 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 28 20  2  0  0  0  0
 29 10  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 28  1  0  0  0  0
 32 31  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 30  1  0  0  0  0
 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002500-3D
FYIcenter.com

 57 62  0  0  0  0  0  0  0  0999 V2000
    5.1932   -8.1672    1.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5698   -7.6086    1.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3255   -7.4498    2.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6568   -7.0374    2.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2815   -6.8639    1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5587   -7.0146    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505   -7.3058    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3497   -7.1503   -1.0893 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1024   -7.0042   -2.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8136   -5.7024   -2.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1744   -5.7768   -2.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9849   -4.6500   -2.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7064   -4.7867   -3.1892 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4461   -3.4135   -2.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1110   -3.2819   -2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006   -1.6077   -1.8683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2713   -4.4449   -2.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128   -4.3520   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435   -5.6555   -0.4226 Hg  0  0  3  0  0  0  0  0  0  0  0  0
    2.8280   -6.7516   -0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990   -6.0399   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -6.4803   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705   -8.1495   -0.9253 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8307   -5.5390   -0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -4.1835   -0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691   -2.9714   -0.4233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -3.7861    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152   -4.7369    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -4.5389    0.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296   -3.8673    0.0345 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5089   -2.4529    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8142   -1.9424    1.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3153   -0.6586    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337    0.1961    0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -0.2390   -0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513   -1.5536   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772   -1.9925   -2.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659   -7.5268    2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034   -9.1659    2.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147   -8.3451    0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8806   -7.6420    3.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2231   -6.8813    3.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3290   -6.5796    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1589   -6.8391   -0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8175   -7.8157   -2.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6521   -6.7325   -2.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0868   -2.5389   -2.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619   -5.8297   -0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999   -2.7471    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -5.4686    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -2.5831    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -0.3474    2.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    1.1931    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4332    0.4496   -1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -1.1784   -2.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0045   -2.8714   -2.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170   -2.2665   -1.7504 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  3  0  0  0
  8 19  1  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
 19 30  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

2023-04-26, 2576👍, 0💬