Molecule FYI-1007850

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Molecule Summary:

ID: FYI-1007850
Names:
InChIKey: SSVRAMXBCRZEHQ-UHFFFAOYSA-N
SMILES: O=C2CC1CC1CC2=O

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

Molecule ID: FYI-1007850 Edit

Molecule Structure InChIKey: SSVRAMXBCRZEHQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CC1CC1CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007850
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-1007850-3D
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    1.0890   -0.1020   -0.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -0.1032   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    1.1320   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    1.1812    1.1035 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1458    1.2718    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894   -0.0449    1.1657 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7998   -1.1778    1.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432   -1.3920    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -2.4867   -0.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    2.0251   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600    1.0458   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    1.3525    1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2278    1.3787    2.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9094    1.8174    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2915   -0.3503    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2073   -0.9852    2.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3831   -2.0899    1.6962 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, 1167👍, 0💬