Molecule Editor

Molecule ID: FYI-1016285 Edit

Molecule Structure InChIKey: RMQKURZYTWOIJG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016285
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 S   0  3  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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 S   0  3  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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 S   0  3  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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 S   0  3  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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
   15.7616    2.1000    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016285-3D
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    4.8561    1.3145    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.6924    0.6799 S   0  3  0  0  0  0  0  0  0  0  0  0
    6.8722    0.6718    2.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1929    0.5824   -0.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7055    0.8262   -1.9049 S   0  3  3  0  0  0  0  0  0  0  0  0
    7.7124    2.3077   -2.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.1408   -2.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6310   -1.7262   -2.4308 S   0  3  3  0  0  0  0  0  0  0  0  0
    5.8909   -1.9426   -2.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906   -2.4146   -3.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643   -1.9601   -4.3092 S   0  3  3  0  0  0  0  0  0  0  0  0
   10.5685   -2.6262   -2.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1485   -3.2097   -5.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702   -3.6489   -6.4695 S   0  3  3  0  0  0  0  0  0  0  0  0
    9.3403   -2.0960   -7.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1745   -4.3714   -7.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996   -5.7039   -7.1379 S   0  3  3  0  0  0  0  0  0  0  0  0
    9.5675   -6.7565   -6.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0983   -6.3707   -8.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092   -5.6299   -9.6365 S   0  3  0  0  0  0  0  0  0  0  0  0
   12.3303   -7.0879  -10.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7568   -4.9548  -10.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6807    0.2370    0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    1.7830   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080    1.0340    2.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9020    0.7706    2.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6429   -0.3763    1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5129    3.0818   -1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4225    2.7085   -3.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7787    2.0670   -2.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394   -1.6425   -2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7140   -3.0011   -3.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6672   -1.3498   -3.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4105   -1.9811   -2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6366   -2.6188   -3.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460   -3.6443   -2.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8177   -1.2841   -6.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8804   -2.2453   -8.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966   -1.8474   -7.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562   -6.5844   -5.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8739   -7.8029   -6.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460   -6.5602   -7.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2092   -7.6496  -10.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999   -6.7506  -11.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4507   -7.7365  -10.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3411   -4.0786  -10.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9727   -5.7025  -10.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1593   -4.6522  -11.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
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  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 26  1  0  0  0  0
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  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 29  1  0  0  0  0
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  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
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 11 12  1  0  0  0  0
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 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END
$$$$