Molecule FYI-1004724

A

Molecule Summary:

ID: FYI-1004724
Names:
InChIKey: IJBPFPFHWUBRFF-UHFFFAOYSA-M
SMILES: Cc3ccc([Sn](O)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

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

Molecule ID: FYI-1004724 Edit

Molecule Structure InChIKey: IJBPFPFHWUBRFF-UHFFFAOYSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004724
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 O   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-1004724-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4698   -0.0541    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701   -0.0449    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -0.6405   -1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281   -0.6253   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362   -0.0150   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565    0.0138   -0.0670 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125   -0.9177   -1.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -0.9012    1.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4362   -0.3745    2.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9651   -0.9557    4.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8120   -2.0718    3.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3951   -2.6986    5.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1174   -2.6000    2.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5860   -2.0156    1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6375    2.0188   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198    3.0733   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718    4.3962   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5491    4.6718   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0490    6.0862   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4652    3.6083   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0095    2.2866   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    0.5807    1.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538    0.5657    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944   -0.5694   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8185   -0.5817    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    0.9892    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -1.1156   -1.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -1.0852   -1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -1.8294   -1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904    0.4893    3.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7171   -0.5318    5.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667   -2.1701    6.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0741   -3.7590    5.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5036   -2.6561    5.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7689   -3.4603    2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8307   -2.4259    0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6570    2.8719   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484    5.2014   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2105    6.8141   -0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6768    6.2538    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6591    6.2717   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5303    3.8046   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7221    1.4721   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6866    1.0562    1.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    1.0301    1.8720 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
  7 29  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 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  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 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 1868👍, 0💬