Molecule FYI-1002429

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A

Molecule Summary:

ID: FYI-1002429
Names:
InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N
SMILES: C1=CCCC=C1

Received at FYIcenter.com on: 2023-03-21

Molecule ID: FYI-1002429 Edit

Molecule Structure InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CCCC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002429
FYIcenter.com

  6  6  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
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002429-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.7887   -1.2644   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -1.2929    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    0.0949    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    0.0421   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6959    1.2236    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411    1.1968   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452   -1.9353    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -1.6726   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1722   -1.9804   -0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -1.7102    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.1509    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.0576   -0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    2.1901    0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628    2.1446   -0.1228 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  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

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2023-04-05, 1501👍, 0💬