Molecule Editor

Molecule ID: FYI-1006528 Edit

Molecule Structure InChIKey: HZUFMSJUNLSDSZ-UPHRSURJSA-N

Molecule Structure SMILES String: O=C/C=C\c2ccc1OCOc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006528
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    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
    6.1812    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5326    0.0000 O   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
    0.0000    2.1000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  4 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006528-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.9291   -1.6708    0.5448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.0757   -0.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6660   -1.7382   -0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.5489    0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9086    0.4485   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314    0.8513    0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372   -0.3782    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3456    1.6715   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1982   -1.2680   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    1.8703   -0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256    1.0808    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1736    0.3631    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -0.7571   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797   -1.1772    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175    2.4545   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628   -1.9586   -0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610   -1.3360    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591    2.8270   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159    1.9068    1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1854    0.5528    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580   -0.6756   -1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$