Molecule FYI-1002863

A

Molecule Summary:

ID: FYI-1002863
Names:
InChIKey: NRBGAMRKZGMKMZ-UHFFFAOYSA-N
SMILES: COc1cc(C(=O)NCC(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002863 Edit

Molecule Structure InChIKey: NRBGAMRKZGMKMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(C(=O)NCC(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002863
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   10.7243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.1124    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  8  3  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 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  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  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 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002863-3D
FYIcenter.com

 51 51  0  0  0  0  0  0  0  0999 V2000
    0.8242   -0.2325    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891    0.0884   -0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8928    0.6652    1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    0.6329    2.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    1.2243    3.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    1.1694    4.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    0.2792    5.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982    2.1895    5.5769 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977    2.3093    6.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    3.5964    7.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973    4.3334    6.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387    3.8088    8.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    5.1482    9.6034 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.1008   11.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9229    5.2011    9.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688    6.7458    8.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4879    1.8405    3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    1.8830    1.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117    1.2782    0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    1.2693   -0.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9907    1.5238   -1.3751 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.9560    0.9162   -3.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    3.3423   -1.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3700    0.5719   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132   -0.6703   -0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463    0.6685    0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.9820    1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    0.1450    2.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632    2.9909    5.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189    1.4447    7.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    2.3593    7.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9354    4.1955   11.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649    5.1160   11.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613    5.9687   11.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3570    4.2944    9.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106    6.0647   10.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2554    5.2809    8.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774    6.7693    8.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514    6.8417    7.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    7.6103    9.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475    2.2728    3.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3269    3.5221   -2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097    3.6334   -0.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1319   -0.4943   -0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3141    0.7023   -1.0358 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
  3  4  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
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 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

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2023-05-09, 1562👍, 0💬