Molecule FYI-1002018

Home > Molecule

A

Molecule Summary:

ID: FYI-1002018
Names:
InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
SMILES: Cc1cccc(C)c1

Received at FYIcenter.com on: 2023-01-18

Molecule ID: FYI-1002018 Edit

Molecule Structure InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccc(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002018
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  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
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002018-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -1.2079   -0.3369    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -0.3365   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    1.0580    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.0583   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997   -1.0822   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998   -1.0820    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -2.1217    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    1.6128    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422    1.6135    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    2.8417    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905   -0.5045   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8097   -1.2975    1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -2.0276   -0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107   -2.0252   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925   -0.5025   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061   -1.3014    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-18, 2336👍, 0💬