Molecule FYI-1001654

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Molecule Summary:

ID: FYI-1001654
SMILES: CCC(=O)CC(C(=O)Cl)[N+](=O)[O-]

Received at FYIcenter.com on: 2022-10-21

Molecule ID: FYI-1001654 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001654
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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  3  1  0  0  0  0
  5  4  2  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  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001654-3D
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
    1.0218   -0.1248   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.0052    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166    1.3928   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    2.3274   -0.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544    1.5888    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    3.0452    0.7726 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8290    3.4581    1.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    2.6520    2.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    5.1438    1.9222 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    3.2339    1.2477 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6325    2.2996    1.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996    4.3298    1.0064 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6613   -1.1502   -0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    0.1261   -1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399    0.5454    0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.7147   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446   -0.2105    1.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969    1.3067   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6612    0.9024    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    3.7102   -0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  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 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 422👍, 0💬