Molecule Editor

Molecule ID: FYI-1006402 Edit

Molecule Structure InChIKey: NPYDXHDLSIVOJD-XVNBXDOJSA-N

Molecule Structure SMILES String: O/C=C/Cc1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006402
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
    2.4249    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
    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
    1.2125    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
    3.6373    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006402-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    0.1124   -1.8923    0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0675   -0.1596   -0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    0.4386    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    0.8205    0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7751   -0.9018    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561    1.4398    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0358   -1.2412   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6168    1.1004   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995    0.6992   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9567   -0.2401   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.0634    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381    0.2180    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    1.8591    1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1064    2.4890    0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141   -2.2814   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3337    1.8798   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    1.2834   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9383   -0.5041   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -0.6716    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -2.7534    0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7388   -0.7723   -0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$