Molecule FYI-1012953

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Molecule Summary:

ID: FYI-1012953
Names:
InChIKey: JFCHSQDLLFJHOA-UHFFFAOYSA-N
SMILES: CN(C)S(=O)(=O)Cl

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012953 Edit

Molecule Structure InChIKey: JFCHSQDLLFJHOA-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)S(=O)(=O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1012953
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.7249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012953-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -1.2106   -0.3626   -1.7156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7192    0.0605    0.2300 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2810   -1.0374    0.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1823    1.4192    0.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    0.0122    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562   -1.2729   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354    1.1811   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6778   -1.2858    0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -1.4047   -1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239   -2.1136    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    1.2272   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989    1.1054    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638    2.1071    0.2200 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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1141👍, 0💬