Molecule FYI-1016278

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A

Molecule Summary:

ID: FYI-1016278
Names:
InChIKey: HYMPQDFBNDVJLV-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCC(=O)O[S+](C)C

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016278 Edit

Molecule Structure InChIKey: HYMPQDFBNDVJLV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCC(=O)O[S+](C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016278
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    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
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 S   0  3  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    0.0000    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  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016278-3D
FYIcenter.com

 67 66  0  0  0  0  0  0  0  0999 V2000
    1.0017    0.0649    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181    0.0699    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0435    0.6671    1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644    0.6715    1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    1.2693    2.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    1.2728    2.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079    1.8701    3.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6255    1.8727    3.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    2.4716    5.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6550    2.4726    5.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1680    3.0699    6.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870    3.0734    6.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2045    3.6733    7.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7274    3.6772    7.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2638    4.2746    9.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7975    4.2794    9.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3269    4.8784   10.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8472    4.9158   10.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2902    5.5526   11.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9636    6.5647   11.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8622    4.8712   13.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    5.7381   14.0187 S   0  3  0  0  0  0  0  0  0  0  0  0
   17.6766    4.4272   15.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2093    6.6404   14.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.3641   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8879    0.6496   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -0.9548   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6717    0.0887    2.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    1.6923    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425    1.2523    0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9426   -0.3520    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035    0.6898    3.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034    2.2939    2.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9733    1.8532    1.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    0.2488    2.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    1.2901    4.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324    2.8945    4.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    2.4515    3.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.8482    3.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7597    1.8935    6.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7620    3.4965    5.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    3.0514    4.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0288    1.4474    5.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7908    2.4895    7.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7908    4.0938    6.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0611    3.6511    5.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610    2.0487    6.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8256    3.0936    8.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8256    4.6970    7.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0968    4.2540    7.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0965    2.6513    7.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8838    5.2984    9.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1586    4.8590    8.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1643    3.2528    9.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9346    4.2953   11.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9296    5.8930   10.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2581    5.5307    9.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2844    3.9150   10.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9949    3.6789   14.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1986    4.8642   16.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6129    3.9465   15.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5751    7.4603   14.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7426    7.0942   15.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 62  1  0  0  0  0
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 23 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
M  END
$$$$

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2025-12-09, 753👍, 0💬