Molecule FYI-1007111

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Molecule Summary:

ID: FYI-1007111
Names:
InChIKey: VEFXTGTZJOWDOF-UHFFFAOYSA-N
SMILES: c1ccccc1.O

Received at FYIcenter.com on: 2024-01-31

Molecule ID: FYI-1007111 Edit

Molecule Structure InChIKey: VEFXTGTZJOWDOF-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1.O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007111
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    1.4358    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
  1  6  1  0  0  0  0
  6  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007111-3D
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.3802   -0.2988    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896   -1.3604    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8701   -1.1087    0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388    0.2048    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    1.2669    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    1.0153    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    0.2078   -2.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -0.4969    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554   -2.3844    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -1.9366    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983    0.4013    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117    2.2909    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053    1.8445    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6155    0.4385   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832   -0.0338   -1.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1032👍, 0💬