Molecule FYI-1005241

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Molecule Summary:

ID: FYI-1005241
Names:
InChIKey: IDIPWEYIBKUDNY-UHFFFAOYSA-N
SMILES: O=S(=O)(F)c1ccccc1

Received at FYIcenter.com on: 2023-10-19

Molecule ID: FYI-1005241 Edit

Molecule Structure InChIKey: IDIPWEYIBKUDNY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(F)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005241
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983    4.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    2.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    3.2407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005241-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
    1.7458    0.0001   -0.0985 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -0.0007    1.4016 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -1.2707   -0.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    1.2714   -0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.0001   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    1.2079   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -1.2080   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905    1.2080    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905   -1.2080    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    0.0000    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751    2.1610   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -2.1610   -0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335    2.1484    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335   -2.1484    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    0.0001    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1297👍, 0💬