Molecule FYI-1004984

A

Molecule Summary:

ID: FYI-1004984
Names:
InChIKey: UOVGINBTECJZDY-UHFFFAOYSA-N
SMILES: O=C(O)c4ccc(C(=O)OCCOCCOC(=O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3)cc4

Received at FYIcenter.com on: 2023-10-05

Molecule ID: FYI-1004984 Edit

Molecule Structure InChIKey: UOVGINBTECJZDY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c4ccc(C(=O)OCCOCCOC(=O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)O)cc1)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004984
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
   42.4352    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4352    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6477    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2228    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2228    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 O   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
   19.3989    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   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
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   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
   25.4612    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  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  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  2  0  0  0  0
 31 29  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
 37 35  1  0  0  0  0
 38 37  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  2  0  0  0  0
 43 41  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 47  1  0  0  0  0
 50 46  1  0  0  0  0
 51 50  2  0  0  0  0
 51 43  1  0  0  0  0
 52 34  1  0  0  0  0
 53 52  2  0  0  0  0
 53 31  1  0  0  0  0
 54 22  1  0  0  0  0
 55 54  2  0  0  0  0
 55 19  1  0  0  0  0
 56  7  1  0  0  0  0
 57 56  2  0  0  0  0
 57  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004984-3D
FYIcenter.com

 91 94  0  0  0  0  0  0  0  0999 V2000
   10.7198   10.8411   -4.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0007   10.0967   -3.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4047    8.8189   -3.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8907   10.5108   -2.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9102   11.4538   -1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7853   11.9038   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6507   11.4106    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5757   11.8378    2.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9086   11.1108    2.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1333   13.1136    2.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0810   13.6113    3.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8395   13.1170    4.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467   13.6073    3.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4507   13.1067    4.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3126   13.6087    5.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964   13.2042    6.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2964   12.4108    7.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9849   11.4095    7.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   13.0440    8.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   12.4383    9.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2764   13.0814   10.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   14.3403   10.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687   15.1249   12.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432   16.3469   11.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   14.3402   13.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   15.0569   14.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   14.7094   14.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   15.0647   13.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   16.3707   13.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   17.2260   13.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   16.6386   11.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062   15.9432   10.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   16.2530    9.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   17.2580    9.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935   17.5625    8.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2956   18.0012    9.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7617   17.2480    7.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7975   17.0497    6.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8184   18.0988    5.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8330   17.7811    4.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4964   16.8723    3.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4023   16.3202    3.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6349   16.6003    2.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941   15.6612    1.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5800   15.3430    0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8194   15.9678    0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0462   15.6381    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1603   15.7630    0.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8326   15.2246   -1.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9555   16.9073    1.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8790   17.2240    2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   17.9465   11.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417   17.6502   12.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   14.9464    9.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0665   14.3027    8.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6306   10.4668    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7623   10.0362   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4035    8.2723   -2.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365   11.8531   -2.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0110   12.6292   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0764   14.7067    3.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9882   13.3248    4.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8998   13.5074    5.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040   12.0238    4.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246   12.0124    4.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026   13.4632    3.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3275   14.7057    5.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720   13.3101    6.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2761   11.4718    9.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888   12.6090   11.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2551   16.1411   14.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119   14.7576   15.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719   15.2009   15.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   13.6309   14.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614   15.1627   10.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1355   15.6826    8.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7930   16.9766    7.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6035   16.0656    6.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8395   18.2087    4.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0696   19.0817    5.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5489   15.1417    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4452   14.5733   -0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9213   15.2780   -1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9213   17.3886    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0364   17.9506    3.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923   18.7120   11.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4111   18.2053   13.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   15.9386    9.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9843   14.8158    7.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3136   10.1079    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5731    9.3516   -1.3261 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 58  1  0  0  0  0
  4  5  1  0  0  0  0
  4 57  2  0  0  0  0
  5  6  2  0  0  0  0
  5 59  1  0  0  0  0
  6  7  1  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 56  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 61  1  0  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 63  1  0  0  0  0
 12 64  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 65  1  0  0  0  0
 14 66  1  0  0  0  0
 15 16  1  0  0  0  0
 15 67  1  0  0  0  0
 15 68  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
 19 20  1  0  0  0  0
 19 55  2  0  0  0  0
 20 21  2  0  0  0  0
 20 69  1  0  0  0  0
 21 22  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  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 53  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 52  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 40  1  0  0  0  0
 39 79  1  0  0  0  0
 39 80  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 51  2  0  0  0  0
 44 45  2  0  0  0  0
 44 81  1  0  0  0  0
 45 46  1  0  0  0  0
 45 82  1  0  0  0  0
 46 47  1  0  0  0  0
 46 50  2  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 83  1  0  0  0  0
 50 51  1  0  0  0  0
 50 84  1  0  0  0  0
 51 85  1  0  0  0  0
 52 53  1  0  0  0  0
 52 86  1  0  0  0  0
 53 87  1  0  0  0  0
 54 55  1  0  0  0  0
 54 88  1  0  0  0  0
 55 89  1  0  0  0  0
 56 57  1  0  0  0  0
 56 90  1  0  0  0  0
 57 91  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-13, 2619👍, 0💬