Molecule FYI-1007844

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A

Molecule Summary:

ID: FYI-1007844
Names:
InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N
SMILES: CCCc1ccccc1

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007844 Edit

Molecule Structure InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007844
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    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
    1.2124    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.3001    0.0000 C   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
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007844-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.5105   -0.0113    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023   -0.0127   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.0048    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    0.0154   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150    1.2063    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251   -1.2098    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.2126   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827   -1.2034   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564    0.0077   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464    0.8612    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -0.8863    1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958   -0.9032   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    0.8570   -1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    0.9147    0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -0.8597    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    0.0126   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0932    2.1518    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -2.1600    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972    2.1555   -0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -2.1415   -0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7133    0.0126   -0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2024-03-23, 144👍, 0💬