Molecule FYI-1007798

A

Molecule Summary:

ID: FYI-1007798
Names:
InChIKey: GLAHNYAEFJVROD-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1N2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007798 Edit

Molecule Structure InChIKey: GLAHNYAEFJVROD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1N2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007798
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 30 20  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007798-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.4332  -11.3238   -4.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574  -10.4754   -4.6636 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3850  -10.8693   -5.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556   -9.0925   -4.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -8.1407   -5.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121   -6.8077   -5.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -6.4243   -4.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220   -7.3602   -4.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655   -6.9821   -3.8816 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668   -5.7229   -3.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7462   -4.2567   -3.5128 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6944   -5.0063   -4.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4169   -6.3388   -4.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2905   -7.0838   -5.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9763   -8.4588   -5.7378 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8904   -9.2377   -5.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6697   -8.9120   -5.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4744   -6.5097   -5.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7635   -5.1870   -5.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1023👍, 0💬