Molecule FYI-1007968

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Molecule Summary:

ID: FYI-1007968
Names:
InChIKey: OOCCDEMITAIZTP-QPJJXVBHSA-N
SMILES: OC/C=C/c1ccccc1

Received at FYIcenter.com on: 2024-03-22

Molecule ID: FYI-1007968 Edit

Molecule Structure InChIKey: OOCCDEMITAIZTP-QPJJXVBHSA-N

Molecule Structure SMILES String: OC/C=C/c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007968
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   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
    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  4  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-1007968-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    4.1842    0.5608   -0.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235   -0.2998   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -0.6774   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.0461    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -1.2835   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1296    1.4084    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581   -0.9211   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    0.0900    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    0.4249   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4432   -0.3483    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983   -1.6747   -0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0495    1.8468    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -2.3377   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    2.4565    0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274   -1.6866   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8459    1.0805    0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1659    0.7070    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586   -0.3303    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5700   -1.3571   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    0.5026   -1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-04-14, 146👍, 0💬