Molecule FYI-1000941

A

Molecule Summary:

ID: FYI-1000941
SMILES: CC3=C(C2=CC6=NC(=CC1=C(C(=C4[N-]1[Fe](=N)[N-]2C3=CC5=NC(=C4)C(=C5C(C)S)C)C(C)S)C)C(=C6CCC(=O)O)C)CCC(=O)O

Received at FYIcenter.com on: 2021-07-21

Molecule ID: FYI-1000941 Edit

Molecule Structure SMILES String: CC3=C(C2=CC6=NC(=CC1=C(C(=C4[N-]1[Fe](=N)[N-]2C3=CC5=NC(=C4)C(=C5C(C)S)C)C(C)S)C)C(=C6CCC(=O)O)C)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000941
FYIcenter.com

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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000941-3D
FYIcenter.com

 83 88  0  0  1  0  0  0  0  0999 V2000
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    5.0990    4.1133  -10.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007    1.8227  -10.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    6.3838   -6.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    5.9497   -7.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8092    6.0328   -8.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   -1.6222   -1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7612   -2.1537   -2.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846   -3.3384   -3.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143   -2.2283   -2.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0910   -4.9423   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  3  0  0  0
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 24 29  1  0  0  0  0
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 34 35  2  0  0  0  0
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 37 74  1  0  0  0  0
 38 39  2  0  0  0  0
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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 83  1  0  0  0  0
M  END
$$$$

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2021-09-09, 952👍, 0💬