Molecule FYI-1010667

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A

Molecule Summary:

ID: FYI-1010667
Names:
InChIKey: TZBDEVBNMSLVKT-UHFFFAOYSA-N
SMILES: O=C1C3CC2CC1CC(O)(C2)C3

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010667 Edit

Molecule Structure InChIKey: TZBDEVBNMSLVKT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1C3CC2CC1CC(O)(C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010667
FYIcenter.com

 12 14  0  0  0  0  0  0  0  0999 V2000
    4.4939    2.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795    1.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3941    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354    0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888    1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9601    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908    3.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7975    3.3307    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
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010667-3D
FYIcenter.com

 26 28  0     1  0  0  0  0  0999 V2000
   -2.6413    1.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    1.1754   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    0.4605   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -1.7585    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879    0.1892   -1.2782 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7809    0.2023    1.2781 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5455   -1.0678    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808    0.8794   -1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876    0.8922    1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182   -1.3358   -1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114   -1.3228    1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107    0.5902   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025   -2.8464    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    0.4999   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3622    0.5220    2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.3860   -0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.3750    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    1.9708   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1465    0.6255   -2.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596    0.6475    2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    1.9836    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -1.6716   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011   -1.8234   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943   -1.8105    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818   -1.6493    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210    0.8143   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 26  1  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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