Molecule FYI-1005168

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A

Molecule Summary:

ID: FYI-1005168
Names:
InChIKey: KWWHDBOMYYFORO-UHFFFAOYSA-N
SMILES: CCCCCN(CCCCC(=O)OCCC)CCCCC(=O)OCCC

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005168 Edit

Molecule Structure InChIKey: KWWHDBOMYYFORO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCN(CCCCC(=O)OCCC)CCCCC(=O)OCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005168
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   15.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005168-3D
FYIcenter.com

 67 66  0  0  0  0  0  0  0  0999 V2000
    0.8962    0.1344   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.0249   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -0.9529   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627   -1.0663   -1.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744   -1.9885   -2.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5596   -2.0538   -2.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631   -2.5356   -0.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -2.4983   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350   -1.1186   -0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120   -0.0902    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4492    1.2220    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5783    1.3503   -0.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7064    2.2065    0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4416    3.3681    1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1554    4.5570    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9480    5.7620    0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365   -2.9314   -3.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7416   -2.4188   -4.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   -1.0119   -4.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7970   -0.9193   -4.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2935    0.4617   -5.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777    1.4213   -5.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6522    0.4566   -5.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2398    1.5179   -6.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417    2.5313   -5.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5682    3.6221   -5.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691    0.8619    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323   -0.8281    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326    0.4647   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   -0.2943    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427    1.0177   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -0.6083   -2.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813   -1.9394   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736   -1.4466   -0.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9126   -0.0694   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7467   -1.5924   -3.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6474   -2.9950   -2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112   -3.5596   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6528   -1.9279   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0801   -3.1902   -1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8180   -2.8844    0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0982   -0.7324   -1.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3207   -1.2376   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8527   -0.4475    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6452    0.0922    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5187    3.1701    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1185    3.5979    2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0834    4.7834    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    4.3200   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6859    6.0127    1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7478    6.6383   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0235    5.5570    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6172   -3.9409   -3.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1211   -3.0515   -3.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6644   -2.4408   -4.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859   -3.1193   -5.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8123   -0.2864   -4.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605   -0.7222   -5.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2437   -1.6217   -5.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1531   -1.1688   -3.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061    2.0150   -6.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9709    1.0476   -6.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7113    2.0331   -4.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2302    2.9700   -4.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2900    3.1947   -6.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896    4.3556   -5.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8021    4.1461   -6.5502 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
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
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  9 42  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1160👍, 0💬