Molecule FYI-1002227

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A

Molecule Summary:

ID: FYI-1002227
Names:
InChIKey: BQOFWKZOCNGFEC-BDAKNGLRSA-N
SMILES: CC1=CCC2C(C1)C2(C)C

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002227 Edit

Molecule Structure InChIKey: BQOFWKZOCNGFEC-BDAKNGLRSA-N

Molecule Structure SMILES String: CC1=CCC2C(C1)C2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002227
FYIcenter.com

 12 13  0  0  1  0  0  0  0  0999 V2000
    2.2023    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6272    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6272    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    4.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  8  1  6  0  0  0
  2 11  1  0  0  0  0
  2  9  1  6  0  0  0
  6  7  1  0  0  0  0
  5  6  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  4  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002227-3D
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
   -1.5391   -0.2170   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -0.5239    0.9877 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9324    0.9055    0.6303 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7438   -1.0832    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365    1.7665    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -0.4417   -1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0001   -0.5052   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233   -0.1862    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    1.0900   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480   -0.8048   -0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763   -0.9360    1.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    1.4682    1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -2.0319    0.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822   -1.3337    1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585    2.5747    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537    2.2560   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.2563   -2.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057   -1.4920   -1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650    0.1764   -1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5729    0.1697   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   -0.3782    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120   -1.5359   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800    1.6979   -0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053   -1.6657   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536   -1.1443    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146   -0.1006   -0.8308 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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  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
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2023-02-28, 1783👍, 0💬