Molecule Editor

Molecule ID: FYI-1006587 Edit

Molecule Structure InChIKey: YQUQWHNMBPIWGK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006587
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006587-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    3.4587   -0.2314    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522    0.3597    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    0.2036    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8072   -0.2368    1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074   -0.2360   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510    1.3319    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022   -1.0708   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    1.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850   -1.2170   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052   -0.0888   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    1.4309    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6848   -1.3241    1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8811   -0.0213    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    0.1923    2.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676    0.1937   -2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8813   -0.0206   -1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -1.3233   -1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2741    2.3320    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7217   -1.9634   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    2.0725    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211   -2.2123   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685    0.6507    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$