Molecule FYI-1007290

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Molecule Summary:

ID: FYI-1007290
Names:
InChIKey: KDUIUFJBNGTBMD-BONZMOEMSA-N
SMILES: c1ccccccc1

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007290 Edit

Molecule Structure InChIKey: KDUIUFJBNGTBMD-BONZMOEMSA-N

Molecule Structure SMILES String: c1ccccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007290
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.3899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007290-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.6741    0.6758    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -0.7541   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822   -1.6754   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -1.6451    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -0.6829    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    0.7444   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6741    1.6663   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513    1.6376    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031    1.0406    0.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576   -1.1615   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -2.7052   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531   -2.6573    0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964   -1.0466    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    1.1520   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392    2.6947   -0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    2.6500    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

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2024-04-14, 685👍, 0💬