Molecule FYI-1002864

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A

Molecule Summary:

ID: FYI-1002864
Names:
InChIKey: VDIHFNQRHGYISG-UHFFFAOYSA-N
SMILES: c2ccc(C1CCCC1)cc2

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002864 Edit

Molecule Structure InChIKey: VDIHFNQRHGYISG-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(C1CCCC1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002864
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002864-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
   -1.0238    0.0267    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195    1.1900   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -1.1938   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.7296   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192   -0.7686   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704    0.0143    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1556   -1.1988    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623    1.2158    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -1.2103   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    1.2041   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245   -0.0090   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714    0.0352    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    1.3394   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    2.1348    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799   -2.0695    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598   -1.4768   -1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314    1.2579   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6205    0.9088    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8768   -1.3091    0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5608   -0.9886   -1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504   -2.1507    0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6578    2.1753    0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0671   -2.1545   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.1395   -0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968   -0.0180   -0.3862 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  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2023-05-09, 1878👍, 0💬