Molecule FYI-1007851

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Molecule Summary:

ID: FYI-1007851
Names:
InChIKey: SSVRAMXBCRZEHQ-UHFFFAOYSA-N
SMILES: O=C2CC1CC1CC2=O

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007851 Edit

Molecule Structure InChIKey: SSVRAMXBCRZEHQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CC1CC1CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007851
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    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
    2.4248    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  2  0  0  0  0
  1  9  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007851-3D
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    1.3404   -0.1631   -1.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.1215   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545    1.1400   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    1.1680    1.0460 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2650    1.2692    1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121   -0.0435    1.0770 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9445   -1.1835    1.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9079   -1.3931    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745   -2.5012    0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.0177   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9827    1.1175   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    1.3113    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649    1.3549    2.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0112    1.8344    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950   -0.3351    0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -1.0087    2.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -2.0932    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  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
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

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2024-03-23, 685👍, 0💬