Molecule Editor

Molecule ID: FYI-1014156 Edit

Molecule Structure InChIKey: LDFGLADZHXCXOW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCCOCCOCCOCCO)cc1)c3ccc(C(C)(C)c2ccc(OCCOCCOCCOCCOCCO)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014156
FYIcenter.com

 53 55  0  0  0  0  0  0  0  0999 V2000
   24.4363   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7363   22.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6364   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3364   14.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0986   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0986    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   23.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   23.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   23.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   23.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   23.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.1000    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  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  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32  2  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37 32  1  0  0  0  0
 38 35  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014156-3D
FYIcenter.com

115117  0  0  0  0  0  0  0  0999 V2000
    3.4971    1.0482    0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    0.0120    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599    0.0501    0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    0.4301   -1.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438    1.0467   -2.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    1.4623   -3.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553    1.2218   -4.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721    1.5654   -5.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7208    2.2324   -6.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2591    2.5299   -7.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184    3.1928   -8.2118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    3.4975   -9.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047    4.2026  -10.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    4.5134  -11.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694    5.1729  -12.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047    5.4625  -13.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3384    6.1385  -14.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9307    6.4043  -15.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537    7.1439  -16.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2295    6.3393  -16.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342    0.5848   -3.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    0.1969   -2.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157   -1.4276    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568   -1.7227    0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.0419    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654   -4.1305    0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430   -5.5919    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4163   -5.7062    1.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280   -6.4943    1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1540   -6.1335   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489   -5.3371   -1.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876   -5.8297   -2.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -7.1349   -2.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1023   -7.7251   -3.8713 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325   -6.9254   -5.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9236   -7.7484   -6.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0643   -6.9468   -7.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7127   -7.6713   -8.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8360   -6.7815   -9.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4835   -7.5195  -10.5837 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340   -6.7417  -11.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3257   -7.5878  -12.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4838   -6.8162  -14.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1372   -7.5661  -15.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2759   -6.6922  -16.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9317   -7.4247  -17.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561   -6.6269  -18.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7778   -7.4462  -19.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322   -8.6240  -19.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2973   -7.9404   -1.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6466   -7.4488   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7577   -3.8359   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452   -2.5154   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.0660    0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    1.0546    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062    0.8350    1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    1.0575    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658   -0.2536    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4812   -0.6278    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    1.2317   -1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9957    1.9604   -3.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    1.6019   -6.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    3.1765   -5.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    3.1665   -7.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978    1.5982   -8.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    4.1422   -9.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983    2.5769  -10.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907    3.5561  -10.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600    5.1211   -9.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    4.5398  -12.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    6.1089  -11.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991    6.0817  -13.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0479    4.5213  -14.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253    7.0221  -15.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    5.4517  -16.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3107    8.0702  -15.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7570    7.3843  -17.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4431    6.1172  -15.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.3805   -3.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -0.2988   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377   -0.9420    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7529   -3.1881    1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644   -5.2984    2.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3620   -5.1808    1.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850   -6.7472    2.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6927   -6.1060    1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -7.5204    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106   -6.5730    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112   -4.3051   -1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   -5.1505   -3.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8307   -6.0298   -4.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449   -6.6152   -5.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322   -8.6442   -6.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9079   -8.0733   -5.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1361   -8.5704   -8.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7084   -7.9925   -7.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4157   -5.8830   -9.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8412   -6.4589   -9.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291   -5.8447  -11.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524   -6.4142  -12.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280   -8.4830  -13.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3043   -7.9168  -12.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5565   -8.4648  -15.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -7.8869  -14.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8518   -5.7918  -16.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2823   -6.3704  -16.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6271   -5.7192  -18.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528   -6.3577  -18.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7640   -7.7621  -19.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8953   -6.8661  -20.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8559   -9.0446  -18.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744   -8.9589   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367   -8.1158    0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -4.6257   -0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968   -2.3549   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 57  1  0  0  0  0
  3 58  1  0  0  0  0
  3 59  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  2  0  0  0  0
  5 60  1  0  0  0  0
  6  7  1  0  0  0  0
  6 61  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 62  1  0  0  0  0
  9 63  1  0  0  0  0
 10 11  1  0  0  0  0
 10 64  1  0  0  0  0
 10 65  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 17  1  0  0  0  0
 16 72  1  0  0  0  0
 16 73  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 74  1  0  0  0  0
 18 75  1  0  0  0  0
 19 20  1  0  0  0  0
 19 76  1  0  0  0  0
 19 77  1  0  0  0  0
 20 78  1  0  0  0  0
 21 22  1  0  0  0  0
 21 79  1  0  0  0  0
 22 80  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  2  0  0  0  0
 24 25  2  0  0  0  0
 24 81  1  0  0  0  0
 25 26  1  0  0  0  0
 25 82  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 29 86  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  2  0  0  0  0
 31 32  2  0  0  0  0
 31 89  1  0  0  0  0
 32 33  1  0  0  0  0
 32 90  1  0  0  0  0
 33 34  1  0  0  0  0
 33 50  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 91  1  0  0  0  0
 35 92  1  0  0  0  0
 36 37  1  0  0  0  0
 36 93  1  0  0  0  0
 36 94  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 95  1  0  0  0  0
 38 96  1  0  0  0  0
 39 40  1  0  0  0  0
 39 97  1  0  0  0  0
 39 98  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 99  1  0  0  0  0
 41100  1  0  0  0  0
 42 43  1  0  0  0  0
 42101  1  0  0  0  0
 42102  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44103  1  0  0  0  0
 44104  1  0  0  0  0
 45 46  1  0  0  0  0
 45105  1  0  0  0  0
 45106  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47107  1  0  0  0  0
 47108  1  0  0  0  0
 48 49  1  0  0  0  0
 48109  1  0  0  0  0
 48110  1  0  0  0  0
 49111  1  0  0  0  0
 50 51  1  0  0  0  0
 50112  1  0  0  0  0
 51113  1  0  0  0  0
 52 53  1  0  0  0  0
 52114  1  0  0  0  0
 53115  1  0  0  0  0
M  END
$$$$