Molecule FYI-1007698

A

Molecule Summary:

ID: FYI-1007698
Names:
InChIKey: HYWZIAVPBSTISZ-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)C(F)(F)F

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

Molecule ID: FYI-1007698 Edit

Molecule Structure InChIKey: HYWZIAVPBSTISZ-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)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007698
FYIcenter.com

 35 34  0  0  0  0  0  0  0  0999 V2000
    6.0623    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.8246    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4246    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6370    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0370    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    0.5125    0.0000 O   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
    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
    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
    1.2125    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4249    0.0000 F   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
    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
  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  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
 21  1  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
 31 22  1  0  0  0  0
 32 21  1  0  0  0  0
 33 21  1  0  0  0  0
 34  1  1  0  0  0  0
 35  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007698-3D
FYIcenter.com

 36 35  0  0  0  0  0  0  0  0999 V2000
    2.8214   -0.2009    1.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631   -0.1927    1.4267 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0161    1.0351    1.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -0.7279    2.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046   -1.5517    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486   -1.5373    0.6800 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701   -2.7745    0.9029 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663   -1.3698   -0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086   -1.3015   -1.1444 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -0.1832   -1.4569 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1651   -2.5082   -1.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178   -3.6866   -1.4707 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -2.3065   -3.1441 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6757   -2.6261   -1.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2062   -1.4330   -2.3150 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1688   -2.8948   -0.7054 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1482   -3.7337   -2.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526   -4.9237   -2.4257 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738   -3.5622   -4.1200 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6685   -3.7638   -2.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1467   -2.5968   -3.3769 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444   -3.8328   -1.5907 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1988   -4.9396   -3.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7548   -6.0999   -3.0998 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061   -4.9127   -4.9204 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156   -4.9190   -3.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1525   -3.7717   -4.2681 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2067   -4.9079   -2.4103 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2563   -6.1158   -4.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8479   -7.2644   -3.8041 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7355   -6.1750   -5.6773 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7762   -6.0570   -4.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3156   -5.0161   -3.8035 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3340   -7.1830   -3.9626 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2172   -5.9654   -5.7556 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -0.0629    3.5707 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 36  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
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1232👍, 0💬