Molecule FYI-1007820

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A

Molecule Summary:

ID: FYI-1007820
Names:
InChIKey: UREWMCXUIDFYNU-UHFFFAOYSA-N
SMILES: CC(C)(C)[N+](=O)O

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007820 Edit

Molecule Structure InChIKey: UREWMCXUIDFYNU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)[N+](=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007820
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007820-3D
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.0579    0.0231    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    0.0021    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -0.9233    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -0.3957   -1.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950    1.3814    0.3609 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3170    2.2961    0.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523    1.6842    0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6527   -0.9728   -0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630    0.7092   -0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630    0.3410    1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589   -1.9484    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.6001    2.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056   -0.9566    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591   -1.3971   -1.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -0.4152   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.3022   -2.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    0.8365    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1156👍, 0💬