Molecule FYI-1016646

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Molecule Summary:

ID: FYI-1016646
Names:
InChIKey: ULBTUVJTXULMLP-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC

Received at FYIcenter.com on: 2026-02-04

Molecule ID: FYI-1016646 Edit

Molecule Structure InChIKey: ULBTUVJTXULMLP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016646
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    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
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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  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
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016646-3D
FYIcenter.com

 68 67  0  0  0  0  0  0  0  0999 V2000
    0.9861   -0.0100    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -0.0014    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    0.8623   -1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5561    0.8734   -1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748    1.7385   -2.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5954    1.7485   -2.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1112    2.6132   -3.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6302    2.6216   -3.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1457    3.4874   -4.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6655    3.4949   -4.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809    4.3624   -5.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7016    4.3713   -5.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2150    5.2414   -6.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7363    5.2545   -6.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2611    6.1240   -7.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7846    6.1198   -7.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3669    6.9649   -9.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8780    6.9280   -8.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5586    6.3542   -8.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3661    7.7466   -9.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2439    8.7569   -9.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6525    8.5995  -10.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5644    9.7181   -9.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9810    9.5700  -10.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5953   -0.4103   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    1.0031    0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.0278    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728    0.3792    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6633    0.4812   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363   -0.1498   -1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320    1.2579   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6981    2.7631   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024    1.3558   -3.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9745    0.7249   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9701    2.1320   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7338    3.6375   -3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378    2.2307   -4.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0089    1.5976   -3.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    3.0041   -2.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680    4.5113   -4.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7706    3.1057   -5.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417    2.4705   -4.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0397    3.8747   -3.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8034    5.3861   -5.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8033    3.9825   -6.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0776    3.3468   -5.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0778    4.7498   -4.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8354    6.2638   -6.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8350    4.8603   -7.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1117    4.2295   -6.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1121    5.6316   -5.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8878    7.1490   -7.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8863    5.7448   -8.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    5.0887   -8.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1485    6.4911   -6.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0426    8.0067   -8.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0316    6.5930  -10.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2575    8.7660   -8.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8207    9.7139   -9.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6235    8.5987  -11.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0498    7.6214   -9.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5890    9.7131   -8.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1669   10.6933   -9.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4200    8.6195   -9.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6138   10.3800   -9.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9960    9.6073  -11.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 57  1  0  0  0  0
 17 18  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
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 24 68  1  0  0  0  0
M  END
$$$$

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2026-03-22, 725👍, 0💬