Molecule FYI-1007918

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A

Molecule Summary:

ID: FYI-1007918
Names:
InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-M
SMILES: O=C([O-])c1ccccc1

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007918 Edit

Molecule Structure InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C([O-])c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007918
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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
    1.2127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.8998    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007918-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    2.3933   -1.1289    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3932    1.1290   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016   -0.0001    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960    1.2079    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908    1.2080    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908   -1.2080   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882    0.0001   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    2.1646    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195   -2.1648   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343    2.1484    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3344   -2.1483   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5742    0.0000   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  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  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2024-04-14, 138👍, 0💬