Molecule FYI-1005419

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Molecule Summary:

ID: FYI-1005419
Names:
InChIKey: CCCKCXLGWHBZPU-UHFFFAOYSA-N
SMILES: CCCC.c1ccccc1

Received at FYIcenter.com on: 2023-10-28

Molecule ID: FYI-1005419 Edit

Molecule Structure InChIKey: CCCKCXLGWHBZPU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC.c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005419
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.9449    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5187    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
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005419-3D
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    1.5226   -0.0728    1.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099    0.0937    1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    1.3917    1.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529    1.5561    1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -0.5573   -1.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935   -1.5146   -1.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756   -1.1125   -0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5894    0.2424   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7187    1.1993   -1.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    0.7977   -1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747   -1.0119    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669    0.7499    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -0.0975    2.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8518    0.0902    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295   -0.7628    1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    1.3951    2.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    2.2470    1.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5898    0.6998    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    2.4595    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    1.6430   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   -0.8689   -2.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601   -2.5689   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9473   -1.8568   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    0.5553   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561    2.2558   -1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    1.5432   -2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2023-11-02, 2270👍, 0💬