Molecule FYI-1007292

A

Molecule Summary:

ID: FYI-1007292
Names:
InChIKey: KKOWHVDQGHMKPK-UHFFFAOYSA-N
SMILES: O=N(=O)C12C3C4(N(=O)=O)C1C5(N(=O)=O)C2C3(N(=O)=O)C45

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007292 Edit

Molecule Structure InChIKey: KKOWHVDQGHMKPK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)C12C3C4(N(=O)=O)C1C5(N(=O)=O)C2C3(N(=O)=O)C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007292
FYIcenter.com

 20 24  0  0  0  0  0  0  0  0999 V2000
    3.4959    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959    3.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    4.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175    4.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173    3.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    5.5961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7145    5.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8930    6.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    1.7779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007292-3D
FYIcenter.com

 24 28  0     0  0  0  0  0  0999 V2000
    2.0116   -2.7656   -0.9761 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0759    0.5671    2.8331 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3796    1.0994    0.0527 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9927    2.2010   -1.9584 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1814   -2.7805   -2.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781   -0.5153    3.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -1.1039    0.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1938    3.2959   -1.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -2.2617   -1.3032 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9665    0.0152    2.5881 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7590   -0.0008    0.0483 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8983    2.2478   -1.3297 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4343   -1.0892   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666    0.0075    1.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3277    0.0000    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338    1.0822   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -1.0818    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312    0.0004   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4631   -0.0072   -1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    1.0894    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791   -1.9670    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.0006   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436   -0.0079   -2.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    1.9751    1.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
$$$$

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2024-04-14, 573👍, 0💬