Molecule FYI-1001731

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A

Molecule Summary:

ID: FYI-1001731
SMILES: CC(C)CC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001731 Edit

Molecule Structure SMILES String: CC(C)CC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001731
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   15.4040    4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994    4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2971    5.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2971    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670    4.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7312    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    6.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.0916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    2.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    0.6870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7312    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0670    2.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3468    1.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9697    0.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1372    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    2.0250    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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 14  2  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24  5  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
 28 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001731-3D
FYIcenter.com

 56 58  0  0  1  0  0  0  0  0999 V2000
    2.3453   -0.8977   -2.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622   -0.4416   -0.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501   -0.4840   -0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9560   -1.2730    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364   -1.2965    0.1050 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0185   -2.2120    1.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856   -3.5783    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055   -4.7829    1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6325   -5.9615    0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7992   -7.0509    1.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009   -8.1490    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995   -8.8711    2.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1176   -9.4100    3.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948  -10.1476    4.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7267  -10.6103    5.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8870  -10.3279    4.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070   -5.9064   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335   -7.3421   -1.8057 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -4.6689   -1.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3742   -4.5541   -3.2119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -3.5320   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403   -2.1327   -1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3309   -1.7130   -2.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968    0.1195    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    0.2193    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686    1.7194    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    2.3844    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098    1.2369    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -0.2930   -3.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595   -1.9460   -2.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3672   -0.7527   -2.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.6062   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -1.5133   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -0.0120   -1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    0.0556    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893   -2.3080    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6456   -0.9130    1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -2.2261    2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981   -1.9362    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4236   -4.8208    2.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4278   -7.8107    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9657   -8.8569    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8508   -8.1799    2.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8319   -9.6955    1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740  -10.1045    2.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5110   -8.5871    3.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206  -10.3999    4.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1251    0.4688   -0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3536   -0.2875   -0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607   -0.1875    1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    2.0801   -0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6113    1.9409    1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3594    2.9111   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    3.1223    1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    1.5497    0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5877    0.9508    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-03, 214👍, 0💬