Molecule FYI-1004718

Home > Molecule

A

Molecule Summary:

ID: FYI-1004718
Names:
InChIKey: GQBRIYIRPORZOM-UHFFFAOYSA-M
SMILES: CCC[Sn](Br)(CCC)CCC

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

Molecule ID: FYI-1004718 Edit

Molecule Structure InChIKey: GQBRIYIRPORZOM-UHFFFAOYSA-M

Molecule Structure SMILES String: CCC[Sn](Br)(CCC)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004718
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004718-3D
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    0.8630    0.1385   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    0.1037   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9643   -0.1492   -1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.1650   -1.4362 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    2.0491   -0.5733 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8603   -1.7426   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3880   -1.7125   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -2.8245    0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397   -0.4732   -3.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3605    0.6533   -4.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8616    0.4568   -5.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671    0.3247    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -0.8309   -0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9529   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178   -0.7030    0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617    1.0778    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    0.6561   -2.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.1276   -1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4981   -2.7133   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662   -1.6004    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7345   -0.7314    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7672   -1.8385   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104   -2.7108    1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0694   -2.7735    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6456   -3.8180    0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4605   -1.4515   -3.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498   -0.4990   -3.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7376    1.6250   -3.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2496    0.6773   -4.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    0.4465   -5.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5005    1.2902   -6.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4788   -0.5005   -6.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  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
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 2066👍, 0💬