Molecule FYI-1002974

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A

Molecule Summary:

ID: FYI-1002974
Names:
InChIKey: MDMNESSPJXSHMV-UHFFFAOYSA-N
SMILES: C=C[Si](OC)(OC)c1cccs1

Received at FYIcenter.com on: 2023-05-03

Molecule ID: FYI-1002974 Edit

Molecule Structure InChIKey: MDMNESSPJXSHMV-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002974
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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4253    0.0000 C   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
  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
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002974-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2505   -0.6032   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194    0.0421    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532    0.3617    1.6527 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.9287    1.8576    2.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633    2.1061    2.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736   -0.8039    2.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.7109    4.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    0.3521    1.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2783    1.0698    1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5407    0.7333    1.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267   -0.2251    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107   -0.7388    0.1074 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -0.7435   -1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7297   -1.0143    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160    0.4352   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874    3.1126    2.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779    1.4008    3.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    2.0796    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -1.5694    4.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443    0.1982    4.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588   -0.7514    4.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384    1.8034    2.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    1.1753    1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2169   -0.6571   -0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2717👍, 0💬