Molecule Editor

Molecule ID: FYI-1017672 Edit

Molecule Structure InChIKey: HOOOPXDSCKBLFG-MRVPVSSYSA-N

Molecule Structure SMILES String: N#C[C@@H](O)c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1017672
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  3  0  0  0  0
  6  9  1  6  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017672-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
   -2.1977    1.0594    1.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200   -0.5039   -0.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -1.3168   -0.8264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    0.3790    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924    0.6962    0.0254 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5406    1.1674   -0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -0.7062    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.8706   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139   -1.0031    0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901   -0.2146   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245   -0.4280   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942    1.5687   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    2.0164   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157   -1.3281    1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    1.4924   -1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8873   -1.8489    1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1257    1.3478    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    0.1428   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  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 10  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$