Molecule FYI-1012100

A

Molecule Summary:

ID: FYI-1012100
Names:
InChIKey: MQIUGAXCHLFZKX-UHFFFAOYSA-N
SMILES: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC

Received at FYIcenter.com on: 2024-08-15

Molecule ID: FYI-1012100 Edit

Molecule Structure InChIKey: MQIUGAXCHLFZKX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012100
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    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
   10.9120    4.2000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   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
    3.6373    5.6000    0.0000 O   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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    2.4249    2.1000    0.0000 C   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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    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  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012100-3D
FYIcenter.com

 66 66  0  0  0  0  0  0  0  0999 V2000
   11.9580    3.0773    4.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2230    3.1974    2.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8148    1.9174    1.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740    2.0256    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6639    0.7385   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9235    0.8423   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5114   -0.4412   -2.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -0.3279   -4.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3838   -1.5293   -4.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3856   -1.4033   -5.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046   -0.8921   -5.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646   -1.8414   -7.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155   -1.2006   -8.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267   -1.4560   -9.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9059   -2.3200   -9.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4455   -2.9603   -8.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926   -2.7731   -7.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4467   -3.6272   -6.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5907   -4.0120   -6.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4498   -4.0591   -5.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6520   -5.3599   -4.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7720   -5.2858   -3.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9503   -6.6780   -2.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0789   -6.6128   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2577   -8.0102   -0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3865   -7.9453    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5656   -9.3382    1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6922   -9.2598    3.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5269    2.2467    4.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8950    2.9011    4.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2876    3.3985    2.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6638    4.0496    2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7506    1.7180    1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    1.0682    2.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1377    2.2246    0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118    2.8723   -0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6001    0.5409   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251   -0.1072    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3652    1.6931   -2.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -0.6485   -2.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0612   -1.2976   -2.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8345   -0.1822   -4.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2200    0.5173   -4.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5032   -0.4774   -8.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4031   -0.9612  -10.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249   -2.5076  -10.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3010   -3.6189   -8.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5355   -5.8462   -5.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7731   -5.9546   -4.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4004   -8.6387   -0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4922   -7.4743    1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2429   -7.3154    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
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  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 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  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 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
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 16 49  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END
$$$$

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2024-09-12, 947👍, 0💬