Molecule FYI-1002475

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A

Molecule Summary:

ID: FYI-1002475
Names:
InChIKey: JCDWETOKTFWTHA-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c1ccccc1

Received at FYIcenter.com on: 2023-04-03

Molecule ID: FYI-1002475 Edit

Molecule Structure InChIKey: JCDWETOKTFWTHA-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002475
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002475-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    1.7445   -0.0025   -0.1286 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1686   -1.2642   -0.7186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1955    1.2547   -0.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0003   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    1.2086   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983   -1.2073   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0025    1.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892    1.2105    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0920   -1.2055    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874    0.0035    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650   -0.8925    2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457   -0.0032    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    0.9053    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    2.1601   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774   -2.1606   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308    2.1517    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359   -2.1451    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8726    0.0050    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1727👍, 0💬