Molecule FYI-1008773

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Molecule Summary:

ID: FYI-1008773
Names:
InChIKey: FZODRUJTXQEUOC-UHFFFAOYSA-N
SMILES: N=S1(=O)CCC2(C1)OCCO2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008773 Edit

Molecule Structure InChIKey: FZODRUJTXQEUOC-UHFFFAOYSA-N

Molecule Structure SMILES String: N=S1(=O)CCC2(C1)OCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008773
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.8229    3.1116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    1.8326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7011    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7011    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008773-3D
FYIcenter.com

 22 23  0     1  0  0  0  0  0999 V2000
    1.9655    0.1202    0.2395 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7318   -1.1060    0.3946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1465    1.0583   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -1.0084    0.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196    1.6122    0.4082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -0.2596   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.1783    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306   -0.8510   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -0.0941   -1.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.2081    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660    0.9148   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    0.6342    1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -1.1202    1.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894   -0.7550   -2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232   -1.9203   -1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   -0.6456   -2.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708    0.8925   -1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7221    0.1303    1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7713   -0.7045    0.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8725    0.6425   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0524    1.8502   -0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4587    1.8998    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1188👍, 0💬