Molecule Editor

Molecule ID: FYI-1016254 Edit

Molecule Structure InChIKey: FSCXZVPPDJYLDD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2[nH]c1ccccc1c(=O)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016254
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.9000    0.0000 O   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 N   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 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
    2.4249    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016254-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    3.0526    1.0849    0.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4630   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056   -1.5744    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977   -0.8610    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    0.5427   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346   -0.9486    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    1.2398   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627    0.3933   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300   -1.5228    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705    1.2744   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -1.8968   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212   -0.7945    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910    0.6001   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778   -2.5860    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719   -2.6091    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    2.3606   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0395   -2.3488    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -1.4270   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -2.7028   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0744   -1.3156    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207    1.1618   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896    0.4642    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$