Molecule FYI-1012356

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A

Molecule Summary:

ID: FYI-1012356
Names:
InChIKey: HUYYFHGIHVULSU-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1cccc(S(N)(=O)=O)c1

Received at FYIcenter.com on: 2024-08-30

Molecule ID: FYI-1012356 Edit

Molecule Structure InChIKey: HUYYFHGIHVULSU-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1cccc(S(N)(=O)=O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012356
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012356-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -2.7202    0.5796    0.1050 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202    0.5798    0.1052 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7471   -0.3070    0.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901    1.8744    0.7305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    1.8730    0.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496   -0.3051    0.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042    0.8191   -1.5627 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.8196   -1.5625 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.2924    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.2921    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.4045    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -1.6858   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -1.6854   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -2.3823   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.4903    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1365   -2.2486   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -2.2480   -0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -3.4671   -0.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7644    0.2831   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    1.7726   -1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037    1.7732   -1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    0.2836   -1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
$$$$

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2024-09-28, 845👍, 0💬