Molecule FYI-1007697

A

Molecule Summary:

ID: FYI-1007697
Names:
InChIKey: MNEXVZFQQPKDHC-UHFFFAOYSA-N
SMILES: O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007697 Edit

Molecule Structure InChIKey: MNEXVZFQQPKDHC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007697
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    7.2748    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4246    3.1250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    2.6125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8246    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6121    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3997    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9997    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 16  1  0  0  0  0
 28 16  1  0  0  0  0
 29 15  1  0  0  0  0
 30 15  1  0  0  0  0
 31  1  1  0  0  0  0
 32  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007697-3D
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
    2.9727    1.3122   -0.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149    1.3360   -0.9189 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    0.4008   -1.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067    2.8047   -1.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1543    1.4810    0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5027    1.5914    0.5880 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515    2.6208    1.3718 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    0.2673    1.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164    0.1502    1.5981 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191   -0.8743    0.9572 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2796    0.3252    2.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    1.4195    3.6187 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7654   -0.7497    3.6677 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7895    0.3050    3.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859   -0.7733    2.4658 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3172    1.4002    2.5227 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630    0.3154    4.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8011    1.4356    5.1839 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7568   -0.7360    5.2572 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7841    0.2860    4.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2258   -0.8787    4.0432 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2891    1.2803    3.8091 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3188    0.4434    5.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9079    1.6360    6.5098 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8023   -0.5214    6.8029 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8266    0.3754    6.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2484   -0.8194    5.4982 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3522    1.3222    5.1738 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3522    0.5669    7.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3856    0.7481    8.3459 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0850   -0.5012    7.8235 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1754    1.6432    7.4986 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567    2.8601   -2.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4 33  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
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 186👍, 0💬