Molecule FYI-1002667

A

Molecule Summary:

ID: FYI-1002667
Names:
InChIKey: RECIVOUICZSKJD-VBPHADAZSA-L
SMILES: Cc4ccc3O[Fe](Cl)(c1ccc(C(C)C)cc1)/[N+](=N/c2ccc(S(=O)(=O)O)cc2)c3c4

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

Molecule ID: FYI-1002667 Edit

Molecule Structure InChIKey: RECIVOUICZSKJD-VBPHADAZSA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002667
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.3069    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3535    0.9423    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6818    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    3.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    2.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002667-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    0.8305    0.0234    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    0.1443    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.3844   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    1.4873   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.3546   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574    0.4965   -0.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683   -1.0226   -0.0380 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    7.3272   -1.7014   -2.2170 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8203   -2.3705    0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6598   -1.7926    1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8922   -5.3384    1.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5413   -3.7086   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5798   -1.9601    0.1663 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4924   -3.2075    0.3567 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199   -4.0177    0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -3.8963   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571   -4.5173    0.2573 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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 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1540👍, 0💬