Molecule FYI-1004708

Home > Molecule

A

Molecule Summary:

ID: FYI-1004708
Names:
InChIKey: MRPUBYODGIWPDM-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCC)(CCC)CCC

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

Molecule ID: FYI-1004708 Edit

Molecule Structure InChIKey: MRPUBYODGIWPDM-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004708
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004708-3D
FYIcenter.com

 44 43  0  0  0  0  0  0  0  0999 V2000
    5.1563   -0.2884   -2.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673   -0.1072   -1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1098   -1.2864   -0.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6013   -1.1733    0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2731   -2.8564    1.9966 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.5787   -2.6080    4.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532   -2.5564    4.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -2.3816    5.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -4.7637    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193   -5.0723   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420   -6.4290   -0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4188   -2.8553    2.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9329   -1.5494    2.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4577   -1.5181    2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    0.5675   -3.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379   -1.2242   -3.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2646   -0.3430   -2.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569   -0.0435   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0799    0.8394   -1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202   -1.3481   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968   -2.2052   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910   -1.1457    0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938   -0.2464    1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -1.6640    4.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484   -3.4618    4.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -3.4983    3.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.7031    3.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642   -3.2348    6.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4301   -2.3450    5.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.4359    5.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644   -4.7538    1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214   -5.5415    1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2305   -5.0589   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655   -4.3136   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962   -7.2379    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0462   -6.6091   -1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5318   -6.4513   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7873   -2.9707    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7642   -3.7190    2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5484   -1.4448    3.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5652   -0.6932    2.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8492   -2.3556    3.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8016   -0.5596    3.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8651   -1.6002    1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 3370👍, 0💬