Molecule Editor

Molecule ID: FYI-1015420 Edit

Molecule Structure InChIKey: SITMTJIDQQCRPD-NFSZIFMVSA-L

Molecule Structure SMILES String: CC(C)c1cccc(C(C)C)c1[N+]3=c4c(=[N+](c2ccccc2)[Ni]3(Br)Br)c6cccc5cccc4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1015420
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    4.9670    8.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    8.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321   10.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    7.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    8.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    5.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    4.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4227    1.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    5.3816    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2349    5.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0567    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4469    4.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0156    5.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1939    6.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8036    6.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9093    6.4205    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    7.4594    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4240    7.6375    0.0000 Br  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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 12  4  1  0  0  0  0
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 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015420-3D
FYIcenter.com

 63 68  0  0  0  0  0  0  0  0999 V2000
    2.8460   -0.5675    3.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577   -1.7863    2.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904   -3.0531    3.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -2.1007    1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5101   -3.1436   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2105   -4.6244   -1.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -2.3892    0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -2.2218    0.9682 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -3.9013   -0.6149    1.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6729   -0.4504   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602   -1.0730   -1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791   -1.4747   -0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.8113   -0.0467 Ni  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$