Molecule Editor

Molecule ID: FYI-1016564 Edit

Molecule Structure InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(OC)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016564
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
    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
    3.6373    2.1000    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016564-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -1.8447    1.2063    0.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -0.9813   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869   -0.1110    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098    0.0314    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489   -0.8657    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    1.0557   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293   -0.7345    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.1869   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499    0.2918   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595    1.2060    0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412   -2.2856   -0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296   -0.5051    1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6606   -1.6590    1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649    1.7562   -1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -1.4291    1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957    1.9835   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    0.3938   -0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5534    0.7559    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    0.6747   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043    2.2435    0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427   -2.3079   -1.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -2.9381   -1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432   -2.6872    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$