Molecule Editor

Molecule ID: FYI-1016584 Edit

Molecule Structure InChIKey: PYSBGJGIVASUCA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCOC(=O)c1ccc(cc1)C(=O)OCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016584
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0778    6.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    7.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1097    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135    4.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9454    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1735    2.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696    2.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2054    0.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    0.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4334    0.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016584-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.0468    0.9064    0.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884    0.9788   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    1.8036   -1.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    1.9404   -2.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361    2.6390   -2.9301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725    2.5070   -4.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063    3.0565   -4.5959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2774    1.5963   -5.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522    0.6498   -5.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658   -0.3018   -6.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205   -0.3483   -6.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845    0.7035   -6.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    1.6712   -5.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -1.4512   -7.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942   -1.5361   -8.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -2.3726   -7.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -2.1334   -5.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481   -3.1094   -5.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948   -2.9694   -4.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2163   -3.7783   -3.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9555   -1.8740   -3.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714   -1.9795   -1.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622   -1.0209   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    0.0731   -1.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131    0.2866   -2.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738   -0.6561   -3.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474    0.9292   -2.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505    2.5602   -2.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404    0.6537   -5.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986   -1.0130   -7.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    0.8068   -6.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002    2.4823   -5.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -2.0201   -5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5843   -1.2777   -6.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   -2.8075   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646   -1.1479    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    1.1922   -3.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -0.3341   -4.6509 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 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
$$$$