Molecule Editor

Molecule ID: FYI-1016571 Edit

Molecule Structure InChIKey: XXPBFNVKTVJZKF-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)CCc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016571
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    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
    2.4248    0.0000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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 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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016571-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    0.6573    2.0987    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574    2.0987   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353    0.8254    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354    0.8254   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419   -0.3967   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7419   -0.3967    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8378    0.8587    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    0.8586   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080   -1.5597   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080   -1.5597    0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   -0.3100   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5694   -0.3100    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055   -1.5163   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -1.5164    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603    2.1884    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    2.9718    0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4604    2.1885   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    2.9719   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    1.7971    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647    1.7971   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368   -2.5254   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367   -2.5254    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   -0.2797   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6547   -0.2797    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4738   -2.4297   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4737   -2.4297    0.3587 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 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$