Molecule Editor

Molecule ID: FYI-1014249 Edit

Molecule Structure InChIKey: NWLBZJSHJVICJB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(CO)COCC(C)(C)COC(=O)c2ccc(C(=O)OCC(C)(C)COC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014249
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   17.9991    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    5.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996   10.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   10.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 33 25  1  0  0  0  0
 34 13  1  0  0  0  0
 35 34  2  0  0  0  0
 35 10  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014249-3D
FYIcenter.com

 81 82  0  0  0  0  0  0  0  0999 V2000
    5.4235    8.6613    7.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130    7.6907    8.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1226    7.6876    9.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    8.1481    8.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    8.1423    7.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    6.2702    7.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.8309    7.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508    4.5262    6.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    4.1371    5.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6896    5.1443    4.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    4.1730    7.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2182    2.7142    5.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5169    2.3372    4.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0162    1.1617    5.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3729    0.2677    5.7908 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5031    1.2324    5.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1922    1.8821    4.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5887    1.9939    4.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3110    1.4743    5.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7907    1.6625    5.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3984    2.3121    4.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3427    0.9871    6.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7848    1.0159    6.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4581   -0.1804    5.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9244   -1.5020    6.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1416   -0.1442    4.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9982   -0.1235    5.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4005   -0.2283    7.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1993   -1.2839    7.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5454   -2.1845    6.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6128   -1.2168    9.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4085   -2.2487    9.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8295   -2.2296   10.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4410   -1.1727   11.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8525   -1.0758   13.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0152   -0.0068   13.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9672   -2.2634   13.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6716   -0.1271   11.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2528   -0.1524    9.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6184    0.8115    6.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2254    0.6841    6.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5258    9.6836    7.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    8.6780    6.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3846    8.3791    6.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2691    8.6893    9.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0837    7.3632    8.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8716    7.0130   10.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7829    9.1564    9.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    7.4757    9.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804    8.8399    7.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434    6.2647    6.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    5.5705    8.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1670    4.5259    5.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6689    3.8140    7.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7909    6.1601    5.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    5.1694    4.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6421    4.8846    4.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5046    5.1711    7.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850    3.8998    6.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1649    3.4735    7.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    2.6857    4.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593    2.0168    6.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6599    2.3200    3.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1137    2.5018    3.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9930    0.9680    7.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830    1.9775    6.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8370   -1.5792    6.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1582   -1.5954    7.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3684   -2.3609    5.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0713   -0.2669    4.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6513   -0.9502    3.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4663    0.8046    3.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3793    0.8362    5.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4646   -0.8999    5.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7226   -3.0733    8.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4798   -3.0247   11.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6593   -3.0407   13.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4002    0.7181   11.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6535    0.6759    9.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1486    0.3993    7.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    0.1816    7.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4  5  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 55  1  0  0  0  0
 10 56  1  0  0  0  0
 10 57  1  0  0  0  0
 11 58  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  1  0  0  0  0
 12 61  1  0  0  0  0
 12 62  1  0  0  0  0
 13 14  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
 16 41  2  0  0  0  0
 17 18  2  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 28  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 39  2  0  0  0  0
 32 33  2  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 38  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 77  1  0  0  0  0
 38 39  1  0  0  0  0
 38 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 40 80  1  0  0  0  0
 41 81  1  0  0  0  0
M  END
$$$$