Molecule FYI-1004722

A

Molecule Summary:

ID: FYI-1004722
Names:
InChIKey: XZQXAXLXLVGYRH-UHFFFAOYSA-M
SMILES: Cc3ccc([Sn](Cl)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

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

Molecule ID: FYI-1004722 Edit

Molecule Structure InChIKey: XZQXAXLXLVGYRH-UHFFFAOYSA-M

Molecule Structure SMILES String: Cc3ccc([Sn](Cl)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004722
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9237    2.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428    5.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    5.7294    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    7.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    4.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9046    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023    2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0286    3.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    5.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    2.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3698    3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5497    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428    2.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  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 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21 15  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004722-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.4703   -0.0656    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706   -0.0498    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717   -0.6427   -1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265   -0.6231   -1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358   -0.0107   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577    0.0201   -0.0595 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7491   -1.0927   -1.9772 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7192   -0.9078    1.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8415   -1.4225    2.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412   -2.0128    3.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7272   -2.0934    4.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2775   -2.7133    5.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6040   -1.5829    3.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1007   -0.9925    1.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6384    2.0264   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191    3.0806   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1697    4.4038   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5467    4.6814   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0461    6.0953   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4638    3.6195   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0097    2.2975   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.5838    1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532    0.5640    1.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954   -0.5825   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141   -0.5952    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549    0.9759    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8061   -1.1205   -1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560   -1.0827   -1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7723   -1.3609    2.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6476   -2.4013    4.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4657   -3.0667    5.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9206   -3.5794    5.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8842   -1.9632    5.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6755   -1.6383    3.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7854   -0.5983    1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    2.8775   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    5.2084   -0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2074    6.8233   -0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6752    6.2625    0.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552    6.2812   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5288    3.8164   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7254    1.4866   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    1.0591    1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770    1.0257    1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 2799👍, 0💬