Molecule FYI-1007845

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A

Molecule Summary:

ID: FYI-1007845
Names:
InChIKey: GHYDKOSNFZOHJJ-UHFFFAOYSA-N
SMILES: CC(=O)CCCC(N)=O

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007845 Edit

Molecule Structure InChIKey: GHYDKOSNFZOHJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007845
FYIcenter.com

  9  8  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
    6.0621    2.1000    0.0000 O   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
    1.2124    2.1000    0.0000 N   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  1  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007845-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -2.5105    1.3156    0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    1.3042   -0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6865   -0.7110   -0.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    0.1007    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -0.7537    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.7439    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    0.0859   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    0.0773   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215   -0.6752   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    0.7314    0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    0.7895   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037   -1.3867    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -1.3980   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221   -1.3870    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -1.3950   -0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8381   -1.2780   -0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598    0.0265   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237   -1.3162    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113   -0.2958   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418   -1.7249   -0.0201 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  8  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  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
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2024-03-23, 894👍, 0💬