Molecule FYI-1006842

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Molecule Summary:

ID: FYI-1006842
Names:
InChIKey: NSPUSMSIJURFND-UHFFFAOYSA-N
SMILES: ClC1CCC12CCC2Cl

Received at FYIcenter.com on: 2024-01-21

Molecule ID: FYI-1006842 Edit

Molecule Structure InChIKey: NSPUSMSIJURFND-UHFFFAOYSA-N

Molecule Structure SMILES String: ClC1CCC12CCC2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006842
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848    3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225    2.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    4.1046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
  4  1  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  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006842-3D
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    0.8968    0.1257    0.0821 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6977    0.0516   -0.0214 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3748    1.0260   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790   -0.1576   -2.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -1.0626   -0.8237 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6243   -1.6618   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -2.8622    0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -2.4348   -0.9104 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8130   -3.3244   -2.4848 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    0.1635    1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3493    1.3948   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7795    1.8797   -1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4099   -0.2095   -2.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334   -0.2054   -2.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075   -1.1204    0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3856   -1.9244   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -2.7741    1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -3.8495    0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807   -2.5228   -0.5927 H   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
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  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  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1775👍, 0💬