Molecule FYI-1004590

A

Molecule Summary:

ID: FYI-1004590
Names:
InChIKey: QWQRKXSDICERHF-UHFFFAOYSA-N
SMILES: C[Si](C)(C)NC(=O)N1CCC=C1C(=O)O[Si](C)(C)C

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004590 Edit

Molecule Structure InChIKey: QWQRKXSDICERHF-UHFFFAOYSA-N

Molecule Structure SMILES String: C[Si](C)(C)NC(=O)N1CCC=C1C(=O)O[Si](C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004590
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.5466    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8466    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1466    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2491    3.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406    1.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068    3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    3.9475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235    4.7565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292    1.4791    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    4.4090    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.4613    3.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8277    2.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2124    1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0473    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004590-3D
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
    2.5587    2.3182    2.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    1.2855    1.5172 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.0952    0.6056    2.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511   -0.1395    0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0913    2.2678    0.1811 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169    1.7801   -0.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2059    0.5929   -0.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864    2.7652   -1.6728 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    4.1403   -1.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    4.7706   -2.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5673    3.7397   -3.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4207    2.6228   -2.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3223    1.4367   -2.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7095    0.7224   -1.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    1.3084   -4.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473   -0.1528   -4.7633 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.4131   -1.0323   -5.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9124    0.1181   -6.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530   -1.2852   -3.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2455    1.7237    3.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6591    2.6903    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.1783    3.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7970    0.0004    3.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7304    1.4195    2.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984   -0.0225    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -0.7793    1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -0.7562    0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6492    0.2323    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    3.0224   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1447    4.6587   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880    4.1366   -1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0154    5.7322   -2.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    4.9208   -3.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154    3.8845   -4.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -0.3874   -5.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9070   -1.2558   -4.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745   -1.9660   -5.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239    0.7782   -7.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0459   -0.8372   -6.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8991    0.5667   -6.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7099   -1.5227   -2.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1336   -0.8309   -3.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3061   -2.2288   -4.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  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
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2311👍, 0💬