Molecule FYI-1004730

A

Molecule Summary:

ID: FYI-1004730
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-1004730 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-1004730
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-1004730-3D
FYIcenter.com

 16  6  0  0  0  0  0  0  0  0999 V2000
    3.8145    2.1251   -0.5231 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5522    2.8657   -0.2127 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9783   -3.4864   -0.0641 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.9709   -3.3521    1.0529 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.2324   -3.3679 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.6994    1.3271   -3.2149 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    0.3473    3.3736 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.0034    1.2661    3.5948 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670   -2.2447   -0.9495 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.5649   -1.7049   -0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3757    1.6242    0.5233 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.5023    2.2979    0.6928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433    2.3430    1.2622 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8268   -2.2816    6.0428 K   0  3  0  0  0  0  0  0  0  0  0  0
   -3.3990   -0.8001   -5.1404 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.0471   -5.0455   -4.8259 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, 2262👍, 0💬