Molecule Editor

Molecule ID: FYI-1004045 Edit

Molecule Structure InChIKey: MMINFSMURORWKH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1OCCOC(=O)c2ccc1cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004045
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.4399    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0532    6.3622    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  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
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004045-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -1.8679   -1.4000   -0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8682   -1.4001    0.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442    0.1668   -0.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440    0.1672    0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253    0.9230    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3251    0.9230   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -1.8525    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -1.8529   -0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    1.1488    1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999    1.1333    1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.1319   -1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6827    1.1476   -1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3601   -0.1181    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.1180   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -2.8929    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222   -1.3439    1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -2.8935   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3227   -1.3450   -1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    1.0151    2.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    0.9881    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362    0.9857   -2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    1.0128   -2.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$