Molecule FYI-1002236

Home > Molecule

A

Molecule Summary:

ID: FYI-1002236
Names:
InChIKey: VFSFCYAQBIPUSL-UHFFFAOYSA-N
SMILES: c2ccc(C1CC1)cc2

Received at FYIcenter.com on: 2023-02-08

Molecule ID: FYI-1002236 Edit

Molecule Structure InChIKey: VFSFCYAQBIPUSL-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(C1CC1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002236
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002236-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    1.6814   -0.2549   -0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193    0.7773    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911   -0.6005    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.1168   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.2537   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.1499   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -1.1239    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    1.2797    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167    0.1428    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -0.6689   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    1.5792    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    1.0446   -0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302   -1.2546    0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1749   -0.7103    1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529   -2.2453   -0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    2.0548   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5767   -2.0091    0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555    2.2661    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5822    0.2439    0.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 186👍, 0💬