Molecule FYI-1004867

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Molecule Summary:

ID: FYI-1004867
Names: HEXANE;
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES: CCCCCC

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004867 Edit

Molecule Names: HEXANE;

Molecule Structure InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004867
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004867-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    0.6558    0.3935    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -0.3932    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649   -0.5413   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650    0.5414    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    0.2369   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709   -0.2372   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    1.0388   -0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045    1.0489    0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930   -1.0225    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952   -1.0642   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -1.2015    0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -1.1803   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8442    1.1983    0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234    1.1837   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    0.8856   -0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222   -0.4510   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.8607    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373   -0.8791   -0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2592   -0.8681    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221    0.4505   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
$$$$

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2023-10-15, 1644👍, 0💬