Molecule FYI-1016193

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Molecule Summary:

ID: FYI-1016193
Names:
InChIKey: IJACVTHENUZLGN-UHFFFAOYSA-N
SMILES: CC#CC(ON(=O)=O)ON(=O)=O

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016193 Edit

Molecule Structure InChIKey: IJACVTHENUZLGN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC#CC(ON(=O)=O)ON(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016193
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  3  0  0  0  0
  7  6  1  0  0  0  0
  8  4  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  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016193-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
    0.0296    0.9731   -0.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474   -1.0502   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453    1.7724    1.0757 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4479    0.3529    0.7660 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8791    3.0871   -0.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4066   -1.3336   -0.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7466    2.0458   -0.0572 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4538   -0.6542    0.0569 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0933   -0.2058    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1562   -0.9846    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1755   -1.6171    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169   -2.3858   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785    0.0193    1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233   -3.4525    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219   -2.0588    0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -2.2601   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

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2025-12-09, 448👍, 0💬