Molecule FYI-1001115

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A

Molecule Summary:

ID: FYI-1001115
SMILES: [O-]S(=O)(=O)C(F)(F)F.C(C)[N+]1=CC=CC=C1

Received at FYIcenter.com on: 2022-01-12

Molecule ID: FYI-1001115 Edit

Molecule Structure SMILES String: [O-]S(=O)(=O)C(F)(F)F.C(C)[N+]1=CC=CC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001115
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    4.9000    2.4249    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.0249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    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  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001115-3D
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    2.4218   -1.1614    1.1911 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7158   -0.4568    0.9212 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8091    0.5040    2.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7422   -1.4929    1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    0.6330   -1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    0.5040   -2.2935 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109    2.0832   -1.5387 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    0.2779   -2.3915 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098    0.3618   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    1.7512   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    0.3371   -0.4031 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0222    1.6366    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306    1.4289    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5781    0.0083   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5263   -1.2763   -1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -1.1385   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2533   -0.0456   -1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086   -0.3080    0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236    2.4416   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380    2.1455    0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    1.7356   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209    2.4530    0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394    2.1923    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6548   -0.1439   -0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854   -2.2032   -1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.8999   -1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 347👍, 0💬