Molecule FYI-1007819

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A

Molecule Summary:

ID: FYI-1007819
Names:
InChIKey: OITYVEQTQHSSON-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(C)(C)[N+](=O)O

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

Molecule ID: FYI-1007819 Edit

Molecule Structure InChIKey: OITYVEQTQHSSON-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007819
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007819-3D
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.0934   -1.3674   -2.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158   -0.6881   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504    0.7687   -1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -1.4677    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2105   -2.5664    0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -0.8301    0.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2576   -1.6563    1.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7761   -1.4613    1.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2054   -1.7999    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1958   -0.0452    2.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834   -2.4050    2.5372 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8566   -3.1291    3.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8747   -2.4924    2.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624   -0.8860   -3.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8765   -2.4334   -2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    1.1992   -2.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012    0.9367   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228    1.3220   -0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9923   -2.7135    1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9288   -1.3354    2.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7190   -1.1417   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9444   -2.8333   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2842   -1.6874    0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840    0.7078    1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    0.1141    1.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596    0.1545    3.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1666   -1.8371    1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2024-03-23, 153👍, 0💬