Molecule FYI-1012547

Home > Molecule

A

Molecule Summary:

ID: FYI-1012547
Names:
InChIKey: AEFBNJXWRHSZGO-UHFFFAOYSA-N
SMILES: c1cc2CCC4CCCc3ccc(c1)c2c34

Received at FYIcenter.com on: 2024-09-19

Molecule ID: FYI-1012547 Edit

Molecule Structure InChIKey: AEFBNJXWRHSZGO-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc2CCC4CCCc3ccc(c1)c2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1012547
FYIcenter.com

 16 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    1.2125    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    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
    6.0622    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8999    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
  4 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012547-3D
FYIcenter.com

 32 35  0     1  0  0  0  0  0999 V2000
   -1.4443    1.2955   -0.2394 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6957   -0.0172   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807    1.2148    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    2.4404    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5891    0.0217   -0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -0.0034   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -1.2354   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    2.5353   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065   -1.2851    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    1.2055   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -1.2297    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -2.4346    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -2.4329    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.1812   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -1.2265    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -0.0295   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909    1.4951   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210    2.1363    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902    1.1162    1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6248    2.2766    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945    3.3930    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5811    0.1269   -1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6400   -0.0031   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985    3.2891    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    2.8633   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2796   -2.0880   -0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902   -1.5345    1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116   -3.3833    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323   -3.3853    0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4215    2.1087   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833   -2.1611    0.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6242   -0.0416   -0.0136 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 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 925👍, 0💬