Molecule FYI-1003834

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A

Molecule Summary:

ID: FYI-1003834
Names:
InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES: CCc1ccccc1

Received at FYIcenter.com on: 2023-07-29

Molecule ID: FYI-1003834 Edit

Molecule Structure InChIKey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003834
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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
    1.2124    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
  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003834-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    2.0237    0.0001    0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579    0.0001    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    1.2081    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1275   -1.2079    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549   -0.0001   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    1.2079   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985   -1.2080   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841   -0.0001   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907    0.8744    1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -0.8738    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951    2.1560    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953   -2.1558    0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442   -0.8858   -1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9222   -0.0001   -0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441    0.8854   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0324    2.1484   -0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322   -2.1486   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -0.0003   -0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1885👍, 0💬