Molecule FYI-1002333

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A

Molecule Summary:

ID: FYI-1002333
Names:
InChIKey: VHKNBDIQDAXGBL-UHFFFAOYSA-M
SMILES: O=CCCC(=O)C(=O)[O-]

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002333 Edit

Molecule Structure InChIKey: VHKNBDIQDAXGBL-UHFFFAOYSA-M

Molecule Structure SMILES String: O=CCCC(=O)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1002333
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002333-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
   -1.0164    1.6346    0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256   -0.9894    0.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193    0.1808   -0.0005 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7999   -1.6775   -0.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920   -0.1977    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157    0.8316   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    0.4346    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    0.2134   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110   -0.4304   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6739   -0.8439   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749   -0.8284    0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    1.4710    0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265    1.4791   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251    0.9373   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2023-04-04, 1579👍, 0💬