Molecule FYI-1007715

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A

Molecule Summary:

ID: FYI-1007715
Names:
InChIKey: MIOFJJFVNWDIGE-UHFFFAOYSA-N
SMILES: Cc1cccc2[Cl+]CCCc12

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007715 Edit

Molecule Structure InChIKey: MIOFJJFVNWDIGE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccc2[Cl+]CCCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007715
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  3  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007715-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9266   -0.0431   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4332   -0.0233   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276   -1.2472    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231   -1.2789    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484   -0.0917   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722    1.1261   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4169    2.6164   -0.2943 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    4.5021    4.0942   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    3.8213    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.5499   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616    1.1962   -0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5282   -1.0800   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    0.4539   -0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301    0.4818    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5872   -2.1850    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -2.2272    0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299   -0.1198   -0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2157    4.1937   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0921    5.0013   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    4.7050    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502    3.7091    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    2.6849   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5595    2.5063    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$

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2024-03-23, 201👍, 0💬