Molecule FYI-1004092

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A

Molecule Summary:

ID: FYI-1004092
Names:
InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
SMILES: C[C@@H]1CCCCC1

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004092 Edit

Molecule Structure InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N

Molecule Structure SMILES String: C[C@@H]1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004092
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004092-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -1.0356    0.0000   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3214    1.2637    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -1.2636    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1579    1.2615   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578   -1.2616   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    0.0000    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995    0.0000    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    0.0000   -1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140    1.3392    1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009    2.1552   -0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010   -2.1551   -0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -1.3392    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480    2.1451    0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553    1.3345   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553   -1.3348   -1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478   -2.1452    0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018   -0.0001   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    0.0000    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    0.8850   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188   -0.8848   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900    0.0000    1.2021 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  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$

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2023-08-25, 516👍, 0💬