Molecule FYI-1002661

A

Molecule Summary:

ID: FYI-1002661
Names:
InChIKey: HGOKINAJEAUKKY-QLCKKJBHSA-L
SMILES: CCN(CC)c4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002661 Edit

Molecule Structure InChIKey: HGOKINAJEAUKKY-QLCKKJBHSA-L

Molecule Structure SMILES String: CCN(CC)c4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002661
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6498    6.7860    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9428    5.4080    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    6.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741    5.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4477    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273    8.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121    8.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5502    4.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6699    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  2  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002661-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1947👍, 0💬