Molecule Editor

Molecule ID: FYI-1016711 Edit

Molecule Structure InChIKey: YMJPJMHITWELDP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3C1CC4C2CC1C(=O)C2C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1016711
FYIcenter.com

 12 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
  5 11  2  0  0  0  0
  2 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016711-3D
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    1.5552    0.7619    0.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765   -0.1258    0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.8848   -0.7500 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5417   -0.7071   -1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005   -1.2542   -0.0910 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0855   -2.7365    0.2071 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9809   -3.3092   -0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -2.3992   -0.4284 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7548   -2.6128    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -2.9143    1.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   -2.3191    1.4785 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5942   -0.8150    1.1693 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3443   -0.4104   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7691    0.3550   -1.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366   -1.2259   -2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4590   -0.9825   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9530   -3.3806    0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -4.3484   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714   -3.3141   -1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349   -2.7559   -0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -2.7156    2.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -0.2552    1.9322 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 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$