Molecule FYI-1014898

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A

Molecule Summary:

ID: FYI-1014898
Names:
InChIKey: DBMJMQXJHONAFJ-UHFFFAOYSA-M
SMILES: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

Received at FYIcenter.com on: 2025-06-06

Molecule ID: FYI-1014898 Edit

Molecule Structure InChIKey: DBMJMQXJHONAFJ-UHFFFAOYSA-M

Molecule Structure SMILES String: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

Download SDF Download SVG Structure in 2D SDF:

FYI-1014898
FYIcenter.com

 18 16  0  0  0  0  0  0  0  0999 V2000
   19.0742    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8616    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6492    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 Na  0  3  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  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014898-3D
FYIcenter.com

 43 41  0  0  0  0  0  0  0  0999 V2000
    2.8761   -0.1176   -1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595   -0.0774   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815   -1.2585    0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5038   -1.3046    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9967   -2.5046    1.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5187   -2.5164    1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659   -3.6830    2.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5935   -3.7105    2.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2154   -2.4880    3.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7422   -2.4575    2.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845   -2.4303    1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606   -1.2444    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2796   -1.2907   -0.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7828   -0.1112   -1.6236 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3230   -0.2408   -1.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    1.1148   -0.9997 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -0.4595   -2.8878 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9729    2.2101    1.2766 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.3744    0.6797   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -1.0760   -2.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    0.0351   -1.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -0.0747   -0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8117    0.8591    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -2.1949    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945   -1.1792    1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869   -0.3767    1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140   -1.3700   -0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6186   -3.4330    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -2.4502    2.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8616   -1.5626    1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -2.5760    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007   -4.6241    1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6919   -3.6334    3.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9309   -3.7925    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9318   -4.6167    2.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9253   -2.4807    4.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231   -1.5569    2.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1558   -3.3254    3.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1032   -1.5673    3.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0508   -3.3662    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3802   -2.3913    1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611   -0.3102    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6691   -1.2787    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$

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2025-06-21, 481👍, 0💬