Molecule Editor

Molecule ID: FYI-1016205 Edit

Molecule Structure InChIKey: PDELBHCVXBSVPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=Cc1c(C)cc(C)cc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016205
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    4.2000    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  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016205-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -0.7971   -0.0050    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982   -1.2103    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    1.2057    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802    0.0055   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -1.2050   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815    1.2108   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010   -2.5287    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197    2.5188    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4650    0.0111   -0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504   -0.0106    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437    0.0077   -0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405   -2.1415   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246    2.1514   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -2.6045    1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481   -2.6635   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -3.3662    0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300    2.5844    1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188    3.3607    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    2.6559   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9044    0.8924    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   -0.8681    0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    0.0134   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -0.0333    1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074    0.0006   -0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274    0.0296   -1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$