Molecule FYI-1015859

A

Molecule Summary:

ID: FYI-1015859
Names:
InChIKey: QMDLHXJDMPXRCB-UHFFFAOYSA-N
SMILES: O=C(O)c3cc2cc1[nH]c(C(=O)O)cc1cc2[nH]3

Received at FYIcenter.com on: 2025-10-24

Molecule ID: FYI-1015859 Edit

Molecule Structure InChIKey: QMDLHXJDMPXRCB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3cc2cc1[nH]c(C(=O)O)cc1cc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015859
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.5832    2.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0172    3.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    4.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443    3.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1784    2.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3339    4.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    4.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648    3.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0515    1.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4365    1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    1.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8730    5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4704    3.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015859-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    5.2713   -1.2481   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2704    1.2488    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608    1.0064    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5614   -1.0055    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433   -1.0155    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433    1.0152   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -0.6354    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213    0.6351   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916    0.7590    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -0.7593   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    1.2049    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5424   -1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504    0.0908   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    0.0315   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7779   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -2.4857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.4853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8684   -1.9727    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684    1.9723   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8811    2.2325    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813   -2.2329    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -1.2572    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2514    1.2588    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 25  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

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