Molecule Editor

Molecule ID: FYI-1012249 Edit

Molecule Structure InChIKey: GVJICCBFXJWKCN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2c(C)cc(CCC(=O)OCCOCCOCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1)cc2C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012249
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
   26.6737    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7985    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3985    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 34  1  0  0  0  0
 39 33  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 42 39  1  0  0  0  0
 38 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012249-3D
FYIcenter.com

 95 96  0  0  0  0  0  0  0  0999 V2000
    3.8315    0.0770    0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -0.0871    2.1255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -1.0117    2.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833   -1.4295    2.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196   -1.0777    1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405   -2.2993    3.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -2.7263    4.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5175   -3.6006    5.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415   -2.7755    6.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1061   -3.6731    7.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273   -3.7016    8.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0091   -4.4166    6.7791 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   -5.3318    7.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9905   -4.6038    8.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8052   -3.9762    7.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180   -3.2606    7.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9685   -4.1633    8.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4380   -5.2275    7.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1810   -4.7677    6.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6365   -5.9617    5.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4888   -6.8541    6.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7434   -6.4015    6.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2067   -5.3401    6.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5058   -7.4194    7.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5896   -6.7337    8.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3865   -7.7225    9.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0032   -8.0444   10.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7356   -8.9738   11.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2808   -9.2892   12.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8719   -9.5783   10.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5517  -10.5359   11.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3161   -9.2526    9.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5688   -9.8707    8.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1387  -11.1494    7.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2122   -8.9009    7.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7204  -10.2357    9.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5179   -8.3375    8.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4551   -2.2991    4.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108   -1.4703    4.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640   -1.0725    4.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    0.2310    5.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651   -0.8747    3.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -2.1461    5.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    0.4127    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117   -0.8494    0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493    0.8824    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357   -0.1639    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5047   -1.9098    0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604   -0.9077    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3569   -2.6324    3.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.2702    4.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297   -4.2622    6.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6911   -2.1338    7.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -2.1128    6.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233   -6.0559    6.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2285   -5.8775    8.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5731   -5.3381    8.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6146   -3.8344    8.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5553   -2.5045    8.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3748   -2.7169    6.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5319   -4.6356    9.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8185   -3.5678    8.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0321   -4.1834    6.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534   -4.1346    5.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1490   -5.6310    4.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7659   -6.5536    5.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9313   -8.1546    6.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8089   -7.9402    8.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1419   -5.9836    8.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2722   -6.1746    7.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1226   -7.5729   10.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3879   -8.7182   12.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0670   -9.0338   13.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0318  -10.3515   12.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1758  -10.6354   12.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3982  -10.9312    7.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6928  -11.8806    8.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9958  -11.6301    7.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5676   -8.7121    6.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1442   -9.3113    7.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4512   -7.9369    8.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4798  -11.0763   10.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0075   -9.3784   10.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6117  -10.5567    8.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7661   -8.0818    7.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424   -2.6247    5.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    1.0648    4.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.1210    6.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567    0.5161    5.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    0.0265    2.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411   -0.7504    3.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -1.7392    2.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -2.2824    6.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -3.1171    4.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605   -1.8559    5.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  2  0  0  0  0
  8  9  1  0  0  0  0
  8 51  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  1  0  0  0  0
  9 53  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 37  2  0  0  0  0
 27 28  2  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 75  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
 36 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 39  1  0  0  0  0
 38 86  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 87  1  0  0  0  0
 41 88  1  0  0  0  0
 41 89  1  0  0  0  0
 42 90  1  0  0  0  0
 42 91  1  0  0  0  0
 42 92  1  0  0  0  0
 43 93  1  0  0  0  0
 43 94  1  0  0  0  0
 43 95  1  0  0  0  0
M  END
$$$$