Molecule FYI-1010714

A

Molecule Summary:

ID: FYI-1010714
Names:
InChIKey: OXSWKDFNCIIUBF-UHFFFAOYSA-L
SMILES: CCCSc1ccc2c(c1)[nH]c(NC(=O)OC)[n+]2[Zn](O)(Cl)[n+]4c(NC(=O)OC)[nH]c3cc(SCCC)ccc34

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010714 Edit

Molecule Structure InChIKey: OXSWKDFNCIIUBF-UHFFFAOYSA-L

Molecule Structure SMILES String: CCCSc1ccc2c(c1)[nH]c(NC(=O)OC)[n+]2[Zn](O)(Cl)[n+]4c(NC(=O)OC)[nH]c3cc(SCCC)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1010714
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    9.6580    9.1655    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   10.3580   10.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580   10.3779    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    9.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0829    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2953    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5078    9.1655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2994    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4766    8.8981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6994    7.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3994    8.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.7994    8.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4994   10.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  8 13  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 14  1  0  0  0  0
 22 23  1  0  0  0  0
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 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
  1 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010714-3D
FYIcenter.com

 70 73  0  0  0  0  0  0  0  0999 V2000
    0.3759    0.0790   -8.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-07-25, 633👍, 0💬