Molecule FYI-1002641

A

Molecule Summary:

ID: FYI-1002641
Names:
InChIKey: IOSYOKXKSRIEGT-HYOPPINZSA-L
SMILES: Cc4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4.N

Received at FYIcenter.com on: 2023-04-16

Molecule ID: FYI-1002641 Edit

Molecule Structure InChIKey: IOSYOKXKSRIEGT-HYOPPINZSA-L

Molecule Structure SMILES String: Cc4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4.N

Download SDF Download SVG Structure in 2D SDF:

FYI-1002641
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.2634    8.5036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3952    7.3925    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.7794    7.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3436    5.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5478    6.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0887    7.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    8.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    7.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037    6.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963    5.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111    3.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    1.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    3.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148    5.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    6.0370    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0563    5.4591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6788    3.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9238    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435    1.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0884    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5185    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736    3.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860    4.9225    0.0000 N   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
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 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
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 17 16  1  0  0  0  0
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 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 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002641-3D
FYIcenter.com

 47 49  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 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  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 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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
    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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  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 25  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  1  0  0  0
  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  7 16  1  6  0  0  0
  7  8  1  1  0  0  0
  8 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 23  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 403👍, 0💬