Molecule FYI-1006444

Home > Molecule

A

Molecule Summary:

ID: FYI-1006444
Names:
InChIKey: RUYZJEIKQYLEGZ-UHFFFAOYSA-N
SMILES: Fc2ccc(c1ccccc1)cc2

Received at FYIcenter.com on: 2023-12-20

Molecule ID: FYI-1006444 Edit

Molecule Structure InChIKey: RUYZJEIKQYLEGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc2ccc(c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006444
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    1.2127    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.0000    0.0000 F   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
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  1 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006444-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    4.4793    0.0004    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -0.0002   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -0.0005    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0475   -0.8253   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473    0.8251    0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936    0.8822   -0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943   -0.8826    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   -0.8252   -0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    0.8251    0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1885    0.8826   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -0.8821    0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.0000    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864    0.0004   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -1.4747   -1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5192    1.4744    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    1.5766   -1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2665   -1.5771    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.4673   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856    1.4675    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314    1.5698   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327   -1.5689    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724    0.0009   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 1714👍, 0💬