Molecule FYI-1006230

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A

Molecule Summary:

ID: FYI-1006230
Names:
InChIKey: QMFJIJFIHIDENY-UHFFFAOYSA-N
SMILES: CC1=CC=CCC1

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

Molecule ID: FYI-1006230 Edit

Molecule Structure InChIKey: QMFJIJFIHIDENY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CC=CCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006230
FYIcenter.com

  7  7  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
    1.0302    0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006230-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    0.3078   -1.2933    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123   -1.2566   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    0.0369    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    0.1009    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277    1.1915   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106    1.2239    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -0.0034   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -2.0140   -0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -1.6836    1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010   -1.9450    0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -1.6372   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218    0.1616    0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369    2.1468   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091   -0.4815    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    0.9984   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471   -0.5728   -0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    2.1925    0.1290 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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  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 17  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

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2023-12-10, 392👍, 0💬