Molecule FYI-1004711

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A

Molecule Summary:

ID: FYI-1004711
Names:
InChIKey: HMFXHBPQJQEFJF-UHFFFAOYSA-N
SMILES: C[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004711 Edit

Molecule Structure InChIKey: HMFXHBPQJQEFJF-UHFFFAOYSA-N

Molecule Structure SMILES String: C[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004711
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9088    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    4.2512    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    5.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    4.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004711-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.0182    0.0515    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575    0.0575    0.0477 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.8315   -1.3269   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -0.9076   -2.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0597   -1.8357   -3.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978   -3.1821   -3.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -3.6014   -2.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -2.6746   -1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8509    2.0280   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    3.0674   -0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3780    4.3734   -0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7493    4.6428   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6721    3.6056   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    2.2988   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116   -0.5192    1.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5946   -1.6658    2.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0086   -2.0385    3.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -1.2647    4.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621   -0.1176    4.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463    0.2547    3.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464    0.3695   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    0.7536    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563   -0.9727    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101    0.1324   -2.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6739   -1.5129   -4.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   -3.8998   -4.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -4.6429   -2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539   -3.0035   -0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670    2.8661   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634    5.1758   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956    5.6544   -0.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7332    3.8159   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407    1.4997   -0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -2.2688    1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6112   -2.9268    3.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -1.5537    5.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783    0.4815    5.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408    1.1415    2.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2023-09-25, 2645👍, 0💬