Molecule FYI-1002342

A

Molecule Summary:

ID: FYI-1002342
Names:
InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N
SMILES: O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2

Received at FYIcenter.com on: 2023-03-01

Molecule ID: FYI-1002342 Edit

Molecule Structure InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002342
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.5282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    2.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    0.1720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002342-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -0.7342   -2.6384   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6790    0.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    1.2735    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967    1.3382   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749   -0.9098    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486    1.4240   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120   -0.6867   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    0.7814   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595   -0.5472    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164   -1.4164    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    0.2830    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    0.7189   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882    2.3322   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195   -1.8617    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560    2.4390   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -1.2270   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

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2023-04-04, 2125👍, 0💬