Molecule FYI-1002651

A

Molecule Summary:

ID: FYI-1002651
Names:
InChIKey: DSDPVKBZZLQAGT-WQKNRVTRSA-L
SMILES: Cc4ccc3O[Fe](Cl)(c1ccc(C(C)C)cc1)/[N+](=N/c2ccc(N(C)C)cc2)c3c4

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

Molecule ID: FYI-1002651 Edit

Molecule Structure InChIKey: DSDPVKBZZLQAGT-WQKNRVTRSA-L

Molecule Structure SMILES String: Cc4ccc3O[Fe](Cl)(c1ccc(C(C)C)cc1)/[N+](=N/c2ccc(N(C)C)cc2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002651
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.3286    1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3286    2.7212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5484    3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    4.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8888    5.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690    4.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885    5.4367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2293    4.8340    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9425    5.4069    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    6.7847    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734    5.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0820    3.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690    3.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8888    2.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 28 22  1  0  0  0  0
 28  9  1  0  0  0  0
 29  7  1  0  0  0  0
 30 29  2  0  0  0  0
 30  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002651-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
    0.8577   -0.0044    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    0.1209    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.3623   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836    1.4686   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0810    0.3372   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3862    0.4844   -0.3728 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3953   -1.0335   -0.1186 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    7.3667   -1.6987   -2.3053 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8440   -2.3838    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658   -1.8201    1.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9002   -2.3651    1.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3535   -3.4840    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7965   -3.9074    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9173   -5.3501    1.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1746   -3.9134   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6194   -6.6654    3.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-25, 384👍, 0💬