Molecule FYI-1007846

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A

Molecule Summary:

ID: FYI-1007846
Names:
InChIKey: YPHUZVNRJXIETG-UHFFFAOYSA-N
SMILES: CC(=O)CCC1CCCC[O+]=C1N

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

Molecule ID: FYI-1007846 Edit

Molecule Structure InChIKey: YPHUZVNRJXIETG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CCC1CCCC[O+]=C1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007846
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.4833    5.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708    5.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708    7.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584    5.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    5.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    5.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    5.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    7.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    5.1230    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523    2.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1370    3.9737    0.0000 C   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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007846-3D
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    3.0611   -0.4279    2.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5494    0.0189    1.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.1129    0.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354   -0.9626    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360   -0.4982   -0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4960   -1.3962   -1.7018 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7437   -0.5792   -2.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837   -1.0769   -3.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6305   -2.4517   -4.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982   -3.5285   -3.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603   -3.6478   -2.8264 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8736   -2.7356   -2.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -3.1733   -1.5709 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888    0.3273    3.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9131   -0.5585    3.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -1.3675    2.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9427   -1.9349    0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967   -1.0384    1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1190    0.4884   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583   -0.3224   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555   -1.5962   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919    0.4566   -2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -0.5335   -3.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8207   -1.0815   -3.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0265   -0.3635   -4.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4440   -2.6730   -5.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6971   -2.4544   -5.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3623   -3.3544   -2.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056   -4.4930   -3.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4097   -4.0992   -1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010   -2.6695   -0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 134👍, 0💬