Molecule FYI-1003127

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Molecule Summary:

ID: FYI-1003127
Names: ETHYL ALCOHOL; ETHANOL;
InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
SMILES: CCO

Received at FYIcenter.com on: 2023-05-13

Molecule ID: FYI-1003127 Edit

Molecule Names: ETHANOL; ETHYL ALCOHOL;

Molecule Structure InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003127
FYIcenter.com

  9  8  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003127-3D
FYIcenter.com

  9  8  0     0  0  0  0  0  0999 V2000
   -1.1712    0.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463   -0.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    0.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.2120    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -1.1938   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050   -0.3720   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426    0.9307   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.9052    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    0.8364    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2945👍, 0💬