Molecule FYI-1004287

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Molecule Summary:

ID: FYI-1004287
Names:
InChIKey: VDEUYMSGMPQMIK-UHFFFAOYSA-N
SMILES: O=C(NO)c1ccccc1

Received at FYIcenter.com on: 2023-08-27

Molecule ID: FYI-1004287 Edit

Molecule Structure InChIKey: VDEUYMSGMPQMIK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NO)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004287
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004287-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    1.8282    1.4130   -0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5320   -0.5705    0.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   -0.7633    0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    0.1224   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    1.2081    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6298   -1.1520   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    1.0194    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112   -1.3408   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565   -0.2550    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464    0.3188   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5407    2.2081    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -2.0176   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9788    1.8645    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -2.3321   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9321   -0.4018    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -1.6395    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.9078   -0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  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  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2023-09-07, 989👍, 0💬