Molecule Editor

Molecule ID: FYI-1016572 Edit

Molecule Structure InChIKey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)Cc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016572
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016572-3D
FYIcenter.com

 23 25  0     0  0  0  0  0  0999 V2000
    0.0000    1.8432    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749    0.8877   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    0.8876   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236   -0.4513   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236   -0.4513   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    1.1959    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.4991   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.4990   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4367    0.1396    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4367    0.1395    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938   -1.1945    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9939   -1.1944    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.4566    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    2.4581   -0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670    2.2245    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8670    2.2245    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027   -2.5337   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027   -2.5336   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031    0.3493    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5031    0.3493    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239   -1.9998    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7239   -1.9997    0.0011 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 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$