Molecule FYI-1013265

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Molecule Summary:

ID: FYI-1013265
Names:
InChIKey: WWNNZCOKKKDOPX-UHFFFAOYSA-N
SMILES: C[n+]1cccc(C(=O)[O-])c1

Received at FYIcenter.com on: 2024-12-01

Molecule ID: FYI-1013265 Edit

Molecule Structure InChIKey: WWNNZCOKKKDOPX-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]1cccc(C(=O)[O-])c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013265
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   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  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013265-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    2.3191    1.5263   -0.0004 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.6555    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924    0.5154   -0.0003 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4003    0.8705   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884   -0.1029   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0840   -0.7661   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2105   -1.4422   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112    1.5613    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086    0.2753    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949    1.9342    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1486   -0.9672    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460   -2.2420    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595    2.4100   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6359    1.1816   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787    1.8593    1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -2.8222    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2024-12-18, 976👍, 0💬