Molecule Editor

Molecule ID: FYI-1004935 Edit

Molecule Structure InChIKey: QWUWMCYKGHVNAV-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(CCc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004935
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    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
    1.2124    0.0000    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
    2.4249    2.1000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0999    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
    7.2746    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1999    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004935-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    0.4479   -0.0177    0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -0.0175   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236   -0.0068    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9057   -0.0069   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -1.2100    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973   -1.2099   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805    1.2060    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821    1.2061   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -1.2001   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653   -1.2001    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    1.2158   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501    1.2158    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    0.0127   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6417    0.0127    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152   -0.8934    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055    0.8502    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014   -0.8912   -1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    0.8486   -1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -2.1594    0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0813   -2.1615   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    2.1479    0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0542    2.1502   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4961   -2.1367   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5038   -2.1368    0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695    2.1601   -0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4768    2.1600    0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6955    0.0204   -0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7068    0.0204    0.4372 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  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  2  0  0  0  0
  7 21  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$