Molecule FYI-1015448

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A

Molecule Summary:

ID: FYI-1015448
Names:
InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015448 Edit

Molecule Structure InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015448
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   20.6114   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015448-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    5.0506    8.4392   -5.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1531    7.5907   -5.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1761    7.7427   -3.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2803    6.8977   -3.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    7.0657   -1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3869    6.2267   -0.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    6.3889    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5091    5.5320    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5635    5.6047    2.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4404    4.9126    3.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5011    3.9882    2.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9177    4.4798    3.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2141    4.5057    4.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464    4.9433    4.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9126    4.9861    6.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3377    5.4507    6.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6340    5.5234    8.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0251    6.0721    8.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7305    6.5546    7.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4120    5.9720    9.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7695    6.3392   10.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9616    7.8590   10.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9730    8.4123   11.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420    8.3236   -6.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016    9.4984   -5.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705    8.1397   -5.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    7.8916   -5.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    6.5394   -5.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    7.4430   -3.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291    8.7964   -3.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2543    7.1942   -3.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1313    5.8410   -3.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140    6.7673   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4364    8.1221   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3605    6.5234   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    5.1702   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4273    6.0891    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    7.4426    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    5.8592    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3454    4.4895    0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8552    6.2500    3.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3845    5.0255    4.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4129    3.8617    1.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503    2.9927    3.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0660    5.4790    2.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6316    3.8124    2.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0419    3.5093    5.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5335    5.1976    5.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8172    5.9363    4.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3467    4.2522    4.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7502    3.9916    6.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2009    5.6687    6.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4916    6.4356    6.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0463    4.7651    6.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5485    4.5241    8.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9147    6.1845    8.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4802    5.9161    9.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9283    5.8784   11.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8356    8.3348    9.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9553    8.1081   10.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1397    8.0100   10.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
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 22 23  1  0  0  0  0
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 23 62  1  0  0  0  0
M  END
$$$$

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2025-11-06, 1088👍, 0💬