Molecule Editor

Molecule ID: FYI-1015860 Edit

Molecule Structure InChIKey: MPMBFEQXKXDNDL-OWOJBTEDSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(/C=C/c1ccc(C(=O)O)[nH]1)[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015860
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.4648    3.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0515    1.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    1.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3791    1.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2756    2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5912    3.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0252    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8888    5.9311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7523    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    3.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419    5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8810    6.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4784    4.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 11  1  0  0  0  0
 14 15  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015860-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.5377    0.0818    1.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975   -0.2951    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079   -0.1150   -0.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -1.0369   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.0859   -2.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825   -2.0094   -2.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711   -2.5142   -1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3745   -3.5016   -1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8354   -4.2148   -2.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -5.2596   -2.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253   -5.8289   -1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2324   -6.8898   -1.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0774   -6.9529   -3.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263   -7.8111   -4.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613   -7.7172   -5.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4771   -8.7451   -3.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930   -5.9439   -3.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998   -1.8541   -0.6075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798   -0.6228   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -0.5149   -2.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341   -2.2863   -3.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -3.6983   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4678   -4.0135   -3.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3228   -5.5287   -0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8472   -7.5272   -1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978   -8.7032   -2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -5.7647   -4.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278   -1.9813    0.3429 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  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$