Molecule FYI-1003787

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A

Molecule Summary:

ID: FYI-1003787
Names:
InChIKey: WAJYSFRNCDSYOU-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003787 Edit

Molecule Structure InChIKey: WAJYSFRNCDSYOU-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003787
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.9512    9.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228    8.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228    3.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9512    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    1.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595    0.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359    0.0814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3771    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5895    1.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3771    3.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8560    4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0185    6.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8560    7.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3771    8.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079    9.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5895   10.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3771   11.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359   11.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   12.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595   11.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741   11.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511   10.4053    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  3  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  1  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
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 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003787-3D
FYIcenter.com

 55 55  0  0  0  0  0  0  0  0999 V2000
   11.8210    9.4433   -1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0459   10.9114   -1.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7219   11.2210   -2.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9754   12.4710   -2.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3681   12.6019   -3.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7388   13.4364   -2.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0596   12.7044   -2.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0145   11.5999   -1.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6781   10.2141   -1.7581 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2501   10.2307   -1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7132    9.0573   -0.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5327    9.3595   -0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7854    8.1371   -0.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7718    8.2726   -1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1283    7.1087   -1.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2767    7.4686   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6766    6.2956   -3.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5919    5.9259   -2.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890    4.4965   -2.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7179    4.3247   -1.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8978    3.0939   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234    3.8181   -0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4090    3.7631   -0.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720    5.3278   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    6.3706   -0.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0472    7.5897   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200    9.0028   -1.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2782    8.4637   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7648    9.8457   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6801   10.5914   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8410   10.5595   -2.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4197   12.2070   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5345   13.4596   -2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9362   14.0804   -3.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7829   14.0801   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3921   11.3601   -2.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6787   12.0951   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7472   10.4212   -2.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0562   11.0391   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9812   10.1785   -0.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8188    9.6508    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1200    8.8744   -2.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0370    8.7686   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5197    8.1720   -2.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9067    7.9582   -3.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6439    6.0607   -3.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    6.5076   -1.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0573    5.1751   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    4.4933   -0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5262    4.2857   -1.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1051    4.2118    0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    5.5482   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4947    5.3637    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1207    7.1542   -2.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133    8.1617   -1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2246👍, 0💬