Molecule FYI-1008800

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A

Molecule Summary:

ID: FYI-1008800
Names:
InChIKey: MVQXBXLDXSQURK-UHFFFAOYSA-N
SMILES: NCCS(N)(=O)=O

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

Molecule ID: FYI-1008800 Edit

Molecule Structure InChIKey: MVQXBXLDXSQURK-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCS(N)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008800
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8498    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   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  4  2  0  0  0  0
  7  4  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008800-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    0.9964   -0.1243    0.0025 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1576   -0.8033    1.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677   -0.8394   -1.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906    1.2606   -0.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0144    0.2516    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925    0.6449   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7054   -0.3900   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6555    1.2894    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    1.2655   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280   -1.0417   -0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -1.0305    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    1.8082   -0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284    1.8328    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7409   -0.4614   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    0.8254   -0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1475👍, 0💬