Molecule FYI-1002770

A

Molecule Summary:

ID: FYI-1002770
Names:
InChIKey: IREAVHUSXWWARY-UHFFFAOYSA-M
SMILES: C[Si](C)(C)O[Si](C)(CCCOCC(O)SCCCS(=O)(=O)[O-])O[Si](C)(C)C

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

Molecule ID: FYI-1002770 Edit

Molecule Structure InChIKey: IREAVHUSXWWARY-UHFFFAOYSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002770
FYIcenter.com

 27 26  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
   14.5493    3.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    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
    8.4871    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
   14.5493    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   14.0369    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    4.3876    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  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  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 13  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  2  0  0  0  0
 22 19  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002770-3D
FYIcenter.com

 64 63  0  0  1  0  0  0  0  0999 V2000
    2.0864    2.6595    2.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117    1.8164    1.2858 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.1083    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362    3.2470    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160    0.6466    1.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    0.4806    1.5027 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.7533   -1.2928    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0221    1.6143    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6567    1.2408   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3478    2.1190   -2.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7550    2.0187   -2.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4248    2.8461   -3.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9399    2.8305   -2.7675 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4396    1.4962   -2.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8319    3.8672   -3.9608 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9888    5.4702   -3.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3719    6.4462   -4.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9607    6.0194   -6.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2015    5.9149   -6.4954 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7607    4.8364   -5.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7253    7.2469   -6.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1030    5.6084   -7.9148 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6791    0.8924    3.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5348    0.3253    4.6189 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    1.2686    5.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    0.4960    5.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9705   -1.4975    4.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648    3.4754    2.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0383    3.0834    3.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7148    1.9643    3.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320    1.8792    0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.2469    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.8048   -0.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    4.1087    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    2.9921   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    3.5510    0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855   -1.6696    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3932   -1.9647    1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480   -1.3430    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1053    1.5665    0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7223    2.6475    0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5753    1.3111   -1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9472    0.1999   -1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0227    3.1616   -2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947    1.7748   -3.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0214    3.8511   -2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1887    2.4680   -4.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1801    3.1610   -1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    1.2738   -3.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2996    5.8558   -2.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    5.3956   -3.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4577    6.5968   -4.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9237    7.4188   -4.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3902    5.0532   -6.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3346    6.7607   -6.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515    2.2935    5.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6541    1.3013    5.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    0.7731    6.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    1.5412    5.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517   -0.1058    6.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0890    0.1466    4.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0217   -1.6913    4.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -2.1237    4.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7848   -1.7994    5.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  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 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  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 23  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 1751👍, 0💬