Molecule FYI-1003175

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A

Molecule Summary:

ID: FYI-1003175
Names:
InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES: Cc1c[nH]c(=O)[nH]c1=O

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003175 Edit

Molecule Structure InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c[nH]c(=O)[nH]c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003175
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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 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 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
    0.0000    0.0000    0.0000 O   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
    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 O   0  0  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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003175-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -1.5193    1.8067   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394    0.2913   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643    1.0623    0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148   -1.2316   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612   -0.5432    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    0.8802    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -1.5013   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -0.8189   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    0.0545    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787   -2.5553   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014    2.0209    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564   -2.0191   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -0.3860   -0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -0.3862    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433   -1.8931   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1859👍, 0💬