Molecule Editor

Molecule ID: FYI-1015866 Edit

Molecule Structure InChIKey: ISMREKKERWKFBC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c5ccc4c(ccc3cc2c(ccc1cc(C(=O)O)ccc12)cc34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015866
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.4187    1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1263    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409    0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0423    2.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202    3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083    2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3823    2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7768    3.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1466    4.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    3.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4515    1.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8075    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625    4.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067    5.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2161    6.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7805    4.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4241    5.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1614    4.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9371    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9754    2.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2382    3.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7971    0.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1407    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7922    5.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1894    5.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  1  5  2  0  0  0  0
  7 10  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
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 16 24  1  0  0  0  0
 16 20  2  0  0  0  0
 13 22  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015866-3D
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.1211   -0.1202    0.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225   -0.0783   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0858   -1.1781   -0.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    1.1895   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    2.2315    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    3.4506    0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4735    3.6786   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    2.6031   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654    2.7615   -1.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6649    3.9644   -1.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2930    5.0466   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0156    6.2544   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    7.3977   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107    7.2737    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    8.3553    1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356    9.5591    1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0258    9.7203    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7199   10.9456    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8099   11.1395   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951   12.4000   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7783   12.4304   -0.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8807   13.5081   -0.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2222   10.0963   -1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5414    8.8753   -1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4270    8.6442   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    6.0663    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    4.9232   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1804    1.3796   -0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -1.0231   -0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078    2.1062    1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821    4.2291    1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    1.9498   -2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5085    4.0473   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497    6.2927   -1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3951    8.2703    2.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107   10.3699    1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4217   11.7312    1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9150   13.3874   -0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0842   10.2204   -1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9146    8.0980   -1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0548    6.0282    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    0.5880   -1.5722 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 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$