Molecule FYI-1002913

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A

Molecule Summary:

ID: FYI-1002913
Names:
InChIKey: STUUMZMCVDVFJI-UHFFFAOYSA-N
SMILES: CCOB1C(OCC)O[Si]1(OCC)OCC

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

Molecule ID: FYI-1002913 Edit

Molecule Structure InChIKey: STUUMZMCVDVFJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOB1C(OCC)O[Si]1(OCC)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002913
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    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
  1 11  1  0  0  0  0
 11  6  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002913-3D
FYIcenter.com

 37 37  0  0  1  0  0  0  0  0999 V2000
    1.1689    0.1601    2.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6884    0.1913    2.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1016    0.5703    1.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5693    0.6741    1.1902 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.3883    1.3468 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7060   -1.2992    0.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   -2.2882    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968   -3.4193   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3819    0.6513    1.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    2.1474    1.0265 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.7073    2.8513   -0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3244    3.4347   -1.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575    2.4174   -2.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    3.0670    2.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6589    3.4356    3.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    4.1269    4.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -0.1542    3.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7852   -0.5609    1.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    1.1695    2.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506   -0.8352    2.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286    0.9241    3.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -0.8016    2.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4713   -2.7505    1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6915   -1.8511    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912   -3.8909   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3553   -4.1907   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8017   -3.0367   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0336    4.1832   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5850    3.9810   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    1.8917   -1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549    2.9354   -3.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3365    1.6751   -2.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    4.1348    2.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629    2.5452    3.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    5.0234    3.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460    4.4454    5.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036    3.4312    4.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2023-05-09, 722👍, 0💬