Molecule FYI-1014395

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A

Molecule Summary:

ID: FYI-1014395
Names:
InChIKey: LVQZPFFIQXUHBT-UHFFFAOYSA-N
SMILES: O=C1CCCCCCC(N(=O)=O)CCC(=O)C1

Received at FYIcenter.com on: 2025-04-14

Molecule ID: FYI-1014395 Edit

Molecule Structure InChIKey: LVQZPFFIQXUHBT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCC(N(=O)=O)CCC(=O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014395
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    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
    6.0621    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    2.1000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    2.4249    2.8000    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
    1.2124    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    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014395-3D
FYIcenter.com

 36 36  0     1  0  0  0  0  0999 V2000
   -0.2621    2.3390   -1.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -0.0023   -1.5190 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9653    0.1614    0.5787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3336    0.1982    1.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    0.0876   -0.3028 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6823    0.1331    0.1379 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4605   -1.0681    1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -2.3918    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802   -2.4160   -0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675    1.4932    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -2.3061    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5985   -1.9644   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108    1.8199    1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6341   -0.5085   -1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016    2.0302   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    1.9015   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7927    0.4933    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730    0.0736   -0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.8738    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -1.2214    1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -3.1998    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -2.6205   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1085   -3.3648   -1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -1.6369   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    2.2919    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882    1.5209    1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682   -1.5686    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377   -3.2704    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -2.1717    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6384   -2.6290   -1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868    2.7493    1.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    1.0301    1.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4883   -0.3659   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7300   -0.2696   -1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591    2.2619   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6599    2.5593    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  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 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1123👍, 0💬