Molecule FYI-1004326

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Molecule Summary:

ID: FYI-1004326
Names:
InChIKey: PIYUCEROTZUFJB-UHFFFAOYSA-N
SMILES: NC(C=O)CCCC=O

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004326 Edit

Molecule Structure InChIKey: PIYUCEROTZUFJB-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(C=O)CCCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004326
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   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
    6.0621    2.1000    0.0000 N   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
    2.4249    0.0000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004326-3D
FYIcenter.com

 20 19  0     1  0  0  0  0  0999 V2000
   -2.2756    1.9453   -0.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544    1.0303    0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308   -1.3105    0.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -1.0206   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115   -0.2224    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7195   -0.3646    0.3646 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0683   -0.8376   -0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478    0.8055   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937   -0.0254   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309   -1.1330   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -2.0296    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.8083   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -0.1635    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -0.0253    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851   -0.8914   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243   -1.8505   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6492   -0.8937    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5976   -2.1321    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423    0.5884   -1.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494   -0.4338   -0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  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  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

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2023-09-07, 1479👍, 0💬