Molecule FYI-1002095

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Molecule Summary:

ID: FYI-1002095
Names:
InChIKey: SNIOPGDIGTZGOP-UHFFFAOYSA-N
SMILES: O=N(=O)OCC(CON(=O)=O)ON(=O)=O

Received at FYIcenter.com on: 2023-01-29

Molecule ID: FYI-1002095 Edit

Molecule Structure InChIKey: SNIOPGDIGTZGOP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)OCC(CON(=O)=O)ON(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002095
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002095-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    0.0424   -1.3569    0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -0.1938   -0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    0.9543    0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430   -2.6329   -0.9457 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5454   -2.7561    1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033    1.8382    0.1442 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2965    1.5003   -0.9379 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6890    0.1002    0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1490    2.2897    1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -2.3340    0.2369 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5993    0.6429    0.1229 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7640    1.6465    0.1631 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1644   -0.4658   -0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787    0.5245   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692    0.2429   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -1.0291   -1.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315    1.0753    0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    1.2205   -1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707   -0.4513   -1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    0.9527   -1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
$$$$

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2023-02-19, 685👍, 0💬