Molecule FYI-1003187

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A

Molecule Summary:

ID: FYI-1003187
Names:
InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N
SMILES: CC(=O)OCC(C)C

Received at FYIcenter.com on: 2023-05-19

Molecule ID: FYI-1003187 Edit

Molecule Structure InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003187
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003187-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    0.5748   -0.3627   -0.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    1.2342    0.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -0.1180   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903    0.5497   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700   -1.3441    0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    0.8807   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318    0.1124    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   -0.9522   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019   -0.4644   -1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519    1.4295   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727    0.8722    1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -1.8115    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817   -1.0723    1.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -2.0983    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    0.4183   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8294    1.7433   -0.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455    1.2484    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958   -1.2389   -1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -1.8170    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -0.5639   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  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  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1618👍, 0💬