Molecule FYI-1003037

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A

Molecule Summary:

ID: FYI-1003037
Names:
InChIKey: YNSWQNGOEHAVGV-UHFFFAOYSA-N
SMILES: CO[Si](OC)(OC)c1cccs1

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003037 Edit

Molecule Structure InChIKey: YNSWQNGOEHAVGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CO[Si](OC)(OC)c1cccs1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003037
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.4381    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6055    4.8757    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  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  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003037-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -1.8911    0.0001   -1.2607 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328   -0.0001   -0.1815 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.7821    0.0001    1.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3511   -1.3611   -1.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3516    1.3606   -1.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219    0.0000    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365    0.0003    1.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    0.0002    1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    0.0001   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027    0.0001    1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -2.6537   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919    2.6534   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017    0.0004    2.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    0.0003    1.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876    0.0001   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590    0.0002    2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912    0.8986    0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -0.8985    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -2.8279   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -2.8025    0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789   -3.3935   -1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    2.8021    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166    2.8278   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797    3.3930   -1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  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
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2023-05-31, 3198👍, 0💬