Molecule FYI-1013158

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A

Molecule Summary:

ID: FYI-1013158
Names:
InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N
SMILES: O=c1cccccc1O

Received at FYIcenter.com on: 2024-11-15

Molecule ID: FYI-1013158 Edit

Molecule Structure InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1cccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013158
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.5184    4.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    4.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078    3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    1.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2184    3.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4731    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013158-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -2.1849   -1.2310   -0.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8861    1.4126    0.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119   -0.6926   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    0.7909    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1188   -1.5452   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789    1.5596   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -1.2996    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6492    1.1479   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -0.1426    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0939   -2.6096   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974    2.6114   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -2.1870    0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    1.8907   -0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469   -0.1561    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -2.1985   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1624👍, 0💬