Molecule FYI-1002973

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A

Molecule Summary:

ID: FYI-1002973
Names:
InChIKey: MDMNESSPJXSHMV-UHFFFAOYSA-N
SMILES: C=C[Si](OC)(OC)c1cccs1

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

Molecule ID: FYI-1002973 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-1002973
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-1002973-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.1900    0.2321    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056   -0.0735   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    0.8585   -1.3299 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.9921    0.2165   -2.8399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455    0.2152   -3.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    2.4680   -1.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    3.3449   -2.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207    0.7466   -1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2999    0.7564   -1.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    0.6546   -1.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908    0.5811    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    0.6664    0.6246 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -0.3704    1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6214    1.0855    0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481   -0.9295    0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6365   -0.1410   -4.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    1.2221   -3.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257   -0.4675   -2.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    4.3616   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647    3.1035   -3.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713    3.3322   -2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943    0.8313   -2.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5146    0.6345   -1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1630    0.4897    0.9111 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, 1735👍, 0💬