Molecule FYI-1002769

A

Molecule Summary:

ID: FYI-1002769
Names:
InChIKey: PFYAZBFPPFRDSL-UHFFFAOYSA-M
SMILES: C[Si](C)(C)O[Si](C)(C)CCCOCC(O)SCCCS(=O)(=O)[O-]

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002769 Edit

Molecule Structure InChIKey: PFYAZBFPPFRDSL-UHFFFAOYSA-M

Molecule Structure SMILES String: C[Si](C)(C)O[Si](C)(C)CCCOCC(O)SCCCS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1002769
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   14.3617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  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 14  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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002769-3D
FYIcenter.com

 54 53  0  0  1  0  0  0  0  0999 V2000
    6.2680   -4.0452   -1.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284   -3.1137   -0.4907 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -3.4888   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.7737    1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8513   -1.4545   -0.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647   -0.1998   -1.6444 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.4892   -0.0774   -1.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0521    1.4550   -1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944   -0.4687   -3.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5184   -0.4772   -3.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9778   -0.6546   -4.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3998   -0.5362   -5.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9218   -0.7455   -6.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4593   -0.8344   -6.2726 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9532    0.4047   -5.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1403   -2.1809   -5.2329 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584   -3.5953   -5.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5430   -4.8892   -5.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163   -6.1105   -5.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1349   -6.0881   -5.9887 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8540   -5.0268   -6.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8232   -7.4334   -6.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7171   -5.8066   -4.6215 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0747   -5.1170   -1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   -3.9044   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6186   -4.5667   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -3.1053   -1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971   -3.0206    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3984   -4.8616    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765   -3.3403    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710   -3.5344    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    0.1491   -0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -1.0184   -2.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721    0.7088   -2.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6468    1.7289   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7907    2.2413   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    1.4146   -0.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5795    0.3353   -4.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798   -1.4112   -3.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498   -1.2770   -2.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9408    0.4560   -3.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457    0.1253   -5.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6743   -1.6383   -5.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340    0.1238   -6.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4788   -1.6326   -6.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550   -0.9487   -7.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917    0.4124   -4.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5606   -3.6842   -7.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   -3.3781   -5.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759   -4.8061   -4.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6257   -5.0572   -5.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1827   -7.0068   -5.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966   -6.2352   -6.9119 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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

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2023-04-26, 539👍, 0💬