Molecule Editor

Molecule ID: FYI-1008772 Edit

Molecule Structure InChIKey: LPRVEGMDCBFWTD-UHFFFAOYSA-N

Molecule Structure SMILES String: S=c1[nH]ccc2occc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008772
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.6776    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008772-3D
FYIcenter.com

 15 16  0     0  0  0  0  0  0999 V2000
   -1.9558   -2.2054   -0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831    0.6573   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    0.4934    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -0.5484   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190    0.7378   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632   -0.6947   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787   -1.4453    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    1.9192   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987    1.7471    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -0.6610    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623   -2.5258    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944    2.8989   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018    0.4526    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872    2.5834    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4664   -0.8791    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$