Molecule FYI-1007953

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Molecule Summary:

ID: FYI-1007953
Names:
InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N
SMILES: c2ccc(Cc1ccccc1)cc2

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007953 Edit

Molecule Structure InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(Cc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007953
FYIcenter.com

 13 14  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
    3.6372    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    7.0002    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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007953-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
   -0.0016    0.0000   -1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519   -0.0001   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689    0.0001   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8366    1.2080   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336   -1.2080   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370   -1.2081   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338    1.2081   -0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0062    1.2080    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031   -1.2081    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066   -1.2079    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035    1.2079    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5911    0.0002    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881   -0.0003    0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -0.8649   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039    0.8649   -2.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923    2.1566   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -2.1536   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929   -2.1567   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    2.1539   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4615    2.1486    0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -2.1486    0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4622   -2.1483    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4593    2.1484    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5017    0.0002    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988   -0.0003    1.4717 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 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-04-14, 1294👍, 0💬