Molecule FYI-1007425

A

Molecule Summary:

ID: FYI-1007425
Names:
InChIKey: JSGQKFVOQQZRFN-DPLLHVDMSA-N
SMILES: O=S(=O)(NC[C@H]2OC(O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H](O)[C@@H]2O)c3cccc(Cl)c3Cl

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007425 Edit

Molecule Structure InChIKey: JSGQKFVOQQZRFN-DPLLHVDMSA-N

Molecule Structure SMILES String: O=S(=O)(NC[C@H]2OC(O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H](O)[C@@H]2O)c3cccc(Cl)c3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007425
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
   11.4244    3.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.3835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6158    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 23  9  1  0  0  0  0
 23 24  1  6  0  0  0
 25 23  1  0  0  0  0
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 27  2  1  0  0  0  0
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 29 28  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007425-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
    2.8853   -1.0451   -2.3239 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -4.5594   -0.3257 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4679   -3.0903   -1.8398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489    1.0247   -0.1185 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5268    0.0423    0.2032 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5185   -1.7408   -0.8576 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    0.8198   -0.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    3.8672    0.6438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    4.4832    0.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769    0.9985   -2.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3404   -0.4311   -0.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422    1.5521   -0.9064 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261    1.4691   -0.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    1.6387   -0.1544 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.4211    3.1615    0.4978 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3758    2.1359   -0.1267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4277    0.7102   -0.7898 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7103    2.0729    0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871   -0.5986    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.0885    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-28, 1155👍, 0💬