Molecule Editor

Molecule ID: FYI-1008985 Edit

Molecule Structure InChIKey: ANLVKTXUPZYLCN-UMCYPVTFSA-L

Molecule Structure SMILES String: Cc5ccc(C(C)C)c([Fe]/2(Cl)OC(c1ccco1)=N[N+]2=C/c4ccc3ccccc3c4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1008985
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
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    9.9680   10.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4892   12.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   12.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   11.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4107    9.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3885    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3880    6.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
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  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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 32 30  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008985-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.4010    0.2234   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    0.1303   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    1.2667    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    1.1566    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9085   -3.0838   -0.3956 Fe  0  0  3  0  0  0  0  0  0  0  0  0
   -1.0499   -2.8685   -2.5214 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$