Molecule FYI-1007411

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Molecule Summary:

ID: FYI-1007411
Names:
InChIKey: FFAADXOKPZHULO-UHFFFAOYSA-N
SMILES: CC(C)C(=O)S

Received at FYIcenter.com on: 2024-02-21

Molecule ID: FYI-1007411 Edit

Molecule Structure InChIKey: FFAADXOKPZHULO-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007411
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 S   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  2  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007411-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
   -2.0431   -0.7433   -0.4893 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384    1.2446    0.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6888   -0.3061   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965   -1.2743    0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.8483   -0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    0.2308    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5975   -0.8316   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -1.6662    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178   -2.1258    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -0.7849    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    0.4791   -0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    1.5601   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370    1.3985    0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004    0.0194    0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 170👍, 0💬