Molecule FYI-1004709

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A

Molecule Summary:

ID: FYI-1004709
Names:
InChIKey: MHTXEMSDIHFLFI-UHFFFAOYSA-M
SMILES: CCC[Sn](I)(CCC)CCC

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

Molecule ID: FYI-1004709 Edit

Molecule Structure InChIKey: MHTXEMSDIHFLFI-UHFFFAOYSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004709
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 I   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-1004709-3D
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    0.9414   -0.0281    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    0.0247   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -0.4306    1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963   -0.3799    1.2773 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.1019   -2.0166   -0.7098 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.9498    1.6085    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4778    1.5879    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508    2.9866    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204   -1.0908    3.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4456   -2.5217    3.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478   -3.0502    4.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    0.3072   -0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    0.6386    0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.0674    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7936    1.0669   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8412   -0.6368   -0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314   -1.4741    1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6933    0.2303    2.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877    2.2575    1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570    1.9914   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8254    0.9274    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573    1.1861    1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    3.4056   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1604    2.9354    0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7370    3.6609    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5379   -0.4196    3.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0304   -1.0517    3.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8253   -3.1767    2.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3347   -2.5495    3.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0584   -3.0472    4.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5913   -4.0914    4.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628   -2.4214    5.5776 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, 1722👍, 0💬