Molecule FYI-1007969

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A

Molecule Summary:

ID: FYI-1007969
Names:
InChIKey: ATQFRSUMHGPHLG-UHFFFAOYSA-N
SMILES: CCCCC(CC)C[Pd]

Received at FYIcenter.com on: 2024-03-22

Molecule ID: FYI-1007969 Edit

Molecule Structure InChIKey: ATQFRSUMHGPHLG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)C[Pd]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007969
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.7847    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    6.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    7.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    0.0000    0.0000 Pd  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  2  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
  1  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007969-3D
FYIcenter.com

 26 25  0  0  1  0  0  0  0  0999 V2000
    1.0261   -0.4465    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -0.2961    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.5604   -1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299    0.7331   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0391    1.5375   -2.3955 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4524    2.9672   -2.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.9107   -1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5738    1.5806   -2.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2422    2.6524   -4.0556 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -1.0607    0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805   -0.9474   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.5500    0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -1.3049   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.1854    0.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.5513   -1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.0733   -2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914   -0.2788   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    1.2197   -0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    0.9916   -3.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476    2.9100   -2.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    3.4302   -3.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    3.5040   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    4.8895   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    4.0914   -1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    0.5500   -2.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9604    2.0645   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
$$$$

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2024-04-14, 146👍, 0💬