Molecule FYI-1005813

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A

Molecule Summary:

ID: FYI-1005813
Names:
InChIKey: IXZDIALLLMRYOU-UHFFFAOYSA-N
SMILES: CC(C)(C)OCl

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005813 Edit

Molecule Structure InChIKey: IXZDIALLLMRYOU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005813
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005813-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    2.1634    0.0003    0.0773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6904   -0.0002    0.8682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293    0.0000   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608   -1.2544   -0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938   -0.0083    0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.2625   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2167   -2.1504   -0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -1.3810   -1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -1.2300   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224    0.8662    1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164   -0.8890    1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003   -0.0085    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526    1.2524   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940    1.3855   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    2.1542   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
$$$$

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2023-11-23, 581👍, 0💬