Molecule FYI-1002914

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A

Molecule Summary:

ID: FYI-1002914
Names:
InChIKey: SDVGDOPJXOLENV-UHFFFAOYSA-N
SMILES: CCOB(OCC)O[Si](OCC)(OCC)OCC

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

Molecule ID: FYI-1002914 Edit

Molecule Structure InChIKey: SDVGDOPJXOLENV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOB(OCC)O[Si](OCC)(OCC)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002914
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3201    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9819    5.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0052    6.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002914-3D
FYIcenter.com

 43 42  0  0  0  0  0  0  0  0999 V2000
    3.3710    2.2584    2.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    2.2743    1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801    1.0541    1.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077    1.1489   -0.4151 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420    0.0636   -1.2979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    0.5304   -2.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747   -0.6114   -2.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975    1.8341   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9912    1.8125   -0.7561 Si  0  0  0  0  0  0  0  0  0  0  0  0
    7.4847    1.8843    0.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2653    1.4977    1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    2.5310    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4833    0.4542   -1.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3235   -0.3294   -2.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9554   -1.6840   -2.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830    3.0459   -1.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833    4.2810   -1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790    4.5290   -2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    3.2029    3.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920    2.1712    3.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591    1.4016    3.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    3.1485    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951    2.3889    1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096    1.3522   -2.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200    0.8655   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.9709   -3.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -0.2631   -3.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271   -1.4552   -2.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    0.5237    2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1783    1.3729    2.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567    2.6770    2.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5483    2.1734    3.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    3.5015    2.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959    0.1121   -3.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386   -0.4793   -2.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0429   -1.5662   -1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8123   -2.3559   -2.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4771   -2.1476   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1501    4.6094   -0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0128    4.8671   -1.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9721    3.9739   -2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3231    5.6160   -2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508    4.2169   -3.5456 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
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
$$$$

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2023-05-09, 2207👍, 0💬