Molecule FYI-1006959

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A

Molecule Summary:

ID: FYI-1006959
Names:
InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
SMILES: CCCC(=O)OC

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006959 Edit

Molecule Structure InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006959
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.4520    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454    2.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4035    1.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006959-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    1.6071   -0.7665    0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7355    1.3696   -0.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    0.3924    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -0.5733   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2360   -0.3493   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977    0.1541   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329   -0.2270    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    1.0189    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553    1.0698   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743   -1.1968   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632   -1.2192    0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0682    0.3613    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3254   -0.9557   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360   -1.0103    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989    0.3694   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393   -1.0613    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    0.3760    0.8999 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  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  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
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

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2024-01-31, 275👍, 0💬