Molecule FYI-1006473

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Molecule Summary:

ID: FYI-1006473
Names:
InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N
SMILES: O=c1[nH]c(=O)[nH]c(=O)[nH]1

Received at FYIcenter.com on: 2023-12-26

Molecule ID: FYI-1006473 Edit

Molecule Structure InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]c(=O)[nH]c(=O)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006473
FYIcenter.com

  9  9  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
    3.6373    2.1000    0.0000 N   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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006473-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -1.4495   -2.2332   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -0.1387   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092    2.3720   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6134   -1.2033    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    0.0704    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    1.1329   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -1.2005    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.0746   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.2751    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -2.1085    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635    0.1234    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885    1.9851   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

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2023-12-31, 347👍, 0💬