Molecule Editor

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
    1.8172    7.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045    3.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    1.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2297    4.8349    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4892    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6699    4.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    5.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    4.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    2.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    4.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    2.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6699    3.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  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 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
    0.0000    0.0000    0.0000 N   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
    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
    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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    0.0000    0.0000    0.0000 Fe  0  0  3  0  0  0  0  0  0  0  0  0
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 14 16  1  0  0  0  0
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 29 54  1  0  0  0  0
M  END
$$$$