Molecule FYI-1007083

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A

Molecule Summary:

ID: FYI-1007083
Names:
InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
SMILES: CCCC(=O)OCC

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007083 Edit

Molecule Structure InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007083
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 C   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007083-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    1.1836    0.4465    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -1.5592    0.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4535   -0.2484   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1564    0.5565    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728    0.6585    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637   -0.3361    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286   -0.2597    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.7419   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891   -0.8744   -0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -0.9283    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229    1.1796    0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    1.2028   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899    0.0614   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6837    1.2701    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    1.3279   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -0.8877    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898   -0.8919   -0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    0.2350   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032    1.3895   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    1.3936    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  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  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  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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2024-02-11, 213👍, 0💬