Molecule FYI-1001175

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A

Molecule Summary:

ID: FYI-1001175
SMILES: C\\1=C/CCCCCC1

Received at FYIcenter.com on: 2022-02-18

Molecule ID: FYI-1001175 Edit

Molecule Structure SMILES String: C1=C/CCCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001175
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.3900    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    3.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    2.3900    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001175-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.3928    1.0750    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.1820    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381   -1.4962    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183   -1.5330   -0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -1.0587   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    0.2166    0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217    1.4975    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    1.5429   -0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.8713    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6285   -0.2968    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880   -2.1376   -0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117   -1.9707    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523   -1.0073   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838   -2.5772   -1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839   -0.9499   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -1.8648    0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    0.3548    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    0.0877    1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203    1.6907   -0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559    2.3318    0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    1.0120   -1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068    2.5853   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  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
M  END
$$$$

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2022-04-21, 2562👍, 0💬