Molecule FYI-1000295

Home > Molecule

A

Molecule Summary:

ID: FYI-1000295
SMILES: CC1(C)C2CCC1(C)C(=O)C2

Received at FYIcenter.com on: 2021-03-21

Molecule ID: FYI-1000295 Edit

Molecule Structure SMILES String: CC1(C)C2CCC1(C)C(=O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000295
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6175    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    1.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    2.1567    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000295-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
    0.9132   -0.1332    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -0.0995    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9066   -0.1036    1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1095   -1.2025   -0.8099 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6178   -0.8489   -2.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.6970   -2.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602    1.0417   -0.7946 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7970    2.4635   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363    0.6314   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928    1.3875   -0.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6253   -0.8825   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.0170    0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -0.1588   -0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    0.7517    0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5464   -1.0056    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.7621    2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903   -0.0691    1.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826   -2.2313   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -1.2478   -2.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765   -1.2450   -3.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5991    1.0757   -2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838    1.0958   -2.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260    2.6895   -0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    3.1774   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    2.6494    0.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979   -1.2247    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -1.2569   -1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-31, 2929👍, 0💬