Molecule FYI-1005186

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Molecule Summary:

ID: FYI-1005186
Names:
InChIKey: HXTYZWJVMWWWDK-UHFFFAOYSA-N
SMILES: O=C(Cl)C1CCC(C(=O)Cl)CC1

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005186 Edit

Molecule Structure InChIKey: HXTYZWJVMWWWDK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cl)C1CCC(C(=O)Cl)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005186
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005186-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.8685    0.2446    0.8109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617    0.8472    0.2876 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8245   -1.4410    0.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524   -1.4288    0.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328    0.5454   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3148    0.3130   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4837    1.0140    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5827    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104   -0.7810   -1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -0.2402   -1.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278   -0.3781    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381   -0.2779    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.0715   -1.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    1.0431   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0599    1.8295    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    0.3171    1.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055   -1.6148   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091   -1.2112   -1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579    2.4034   -0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    2.0260    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -1.0706   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.4235   -2.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

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2023-11-02, 920👍, 0💬