Molecule FYI-1005143

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A

Molecule Summary:

ID: FYI-1005143
Names:
InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N
SMILES: CCC(C)C

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005143 Edit

Molecule Structure InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005143
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005143-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
   -0.5979   -0.0054    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206   -0.0612    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0244    1.2664   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0428   -1.2354   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    0.0356   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951   -0.0263    1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770   -0.9894    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.7627    1.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670    1.2892   -1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6496    2.1572    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    1.3365   -0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713   -1.2245   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -1.2756   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -2.1588    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099   -0.0176   -0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844    0.9839   -1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -0.7855   -1.2602 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  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1996👍, 0💬