Molecule FYI-1016283

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Molecule Summary:

ID: FYI-1016283
Names:
InChIKey: QKJOOSKKWYNDKE-BJMVGYQFSA-N
SMILES: OCC(O)/C=N/c1ccc(N[O-])cc1

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016283 Edit

Molecule Structure InChIKey: QKJOOSKKWYNDKE-BJMVGYQFSA-N

Molecule Structure SMILES String: OCC(O)/C=N/c1ccc(N[O-])cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016283
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   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    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016283-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    0.9883    1.8484   -0.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    1.8410   -1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    0.4176   -1.4489 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4418   -0.0597   -2.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    0.3988   -1.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676    1.0128   -2.3702 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4774    0.9489   -2.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1852   -0.2162   -2.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823   -0.2468   -2.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3139    0.8815   -2.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7123    0.8577   -2.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4978   -0.1955   -2.2385 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5993    2.0363   -2.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995    2.0722   -2.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    2.7720   -1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8814    2.2702   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    2.4864   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -0.2707   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    0.4226   -3.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903   -0.1506   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6715   -1.1299   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1157   -1.1654   -1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1528    1.7549   -2.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    2.9030   -3.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    2.9760   -3.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2025-12-09, 1051👍, 0💬