Molecule FYI-1003121

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A

Molecule Summary:

ID: FYI-1003121
Names:
InChIKey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
SMILES: CC(C)C(C)C

Received at FYIcenter.com on: 2023-05-12

Molecule ID: FYI-1003121 Edit

Molecule Structure InChIKey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003121
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003121-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    0.7182    0.2945   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182   -0.2944   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257    1.1919    0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804   -0.8053   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254   -1.1919    0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806    0.8052   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160    0.9147   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161   -0.9146   -1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    0.6383    1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    1.6112    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311    2.0345    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716   -0.3662   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309   -1.4116    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745   -1.4696   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308   -2.0346    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785   -0.6385    1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342   -1.6112    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312    1.4118    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718    0.3658   -0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    1.4693   -1.3158 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  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1247👍, 0💬