Molecule FYI-1004729

A

Molecule Summary:

ID: FYI-1004729
Names:
InChIKey: BYGOPQKDHGXNCD-UHFFFAOYSA-N
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3]

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004729 Edit

Molecule Structure InChIKey: BYGOPQKDHGXNCD-UHFFFAOYSA-N

Molecule Structure SMILES String: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3]

Download SDF Download SVG Structure in 2D SDF:

FYI-1004729
FYIcenter.com

 16  6  0     0  0  0  0  0  0999 V2000
    3.8508    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    5.5829    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6736    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.9848    1.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.8508   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8508    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7169   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7169    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9848   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9848    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  5 11  3  0  0  0  0
  6 12  3  0  0  0  0
  7 13  3  0  0  0  0
  8 14  3  0  0  0  0
  9 15  3  0  0  0  0
 10 16  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004729-3D
FYIcenter.com

 16  6  0  0  0  0  0  0  0  0999 V2000
    0.5668    2.4715    2.2853 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.0406    3.4123    1.8908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842   -1.5255    0.4748 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1118   -0.4392    0.2924 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538    2.1279   -1.4179 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.0409    2.3900   -1.5419 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695   -3.2973   -0.5099 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.5303   -2.3240   -1.0349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568   -0.7998    2.6062 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.5303    0.1282    2.7900 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670   -0.9975   -3.3469 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.3132   -0.3834   -4.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770    1.4923    5.5365 K   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2530   -1.8960   -3.9654 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.9179    8.6099   -3.4877 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.8151   -7.1530    1.4777 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  4  3  0  0  0  0
  5  6  3  0  0  0  0
  7  8  3  0  0  0  0
  9 10  3  0  0  0  0
 11 12  3  0  0  0  0
M  END
$$$$

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2023-10-05, 1844👍, 0💬