Molecule FYI-1006426

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A

Molecule Summary:

ID: FYI-1006426
Names:
InChIKey: WXANMNBCLYFYRM-UHFFFAOYSA-N
SMILES: C2=CC(C1CCCC1)=CC=Cl2

Received at FYIcenter.com on: 2023-12-16

Molecule ID: FYI-1006426 Edit

Molecule Structure InChIKey: WXANMNBCLYFYRM-UHFFFAOYSA-N

Molecule Structure SMILES String: C2=CC(C1CCCC1)=CC=Cl2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006426
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 Cl  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
    1.2127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    5.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801    5.0230    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
  4  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-1006426-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.2960   -2.0870   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456   -3.4045   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -3.9977    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013   -5.5139    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834   -6.2505   -1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819   -7.7099   -0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093   -7.6458    0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736   -6.1724    1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -3.2370    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113   -1.7547   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008   -1.0884   -0.0905 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032   -1.6886   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036   -4.0679   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5746   -5.8012    0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537   -6.1108   -2.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -5.8912   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3238   -8.3214   -1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -8.1487   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642   -7.9035    1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850   -8.3466    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -5.9132    2.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532   -5.9132    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661   -3.7224    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267   -1.1737    0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  3  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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