Molecule FYI-1001364

Home > Molecule

A

Molecule Summary:

ID: FYI-1001364
SMILES: Cc1cccc(c1O)C(=O)OCc2ccc(o2)C(=O)OC

Received at FYIcenter.com on: 2022-06-09

Molecule ID: FYI-1001364 Edit

Molecule Structure SMILES String: Cc1cccc(c1O)C(=O)OCc2ccc(o2)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001364
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.1091    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    2.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    2.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    2.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    2.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    4.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    3.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    2.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    0.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001364-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   -1.7197   -1.5534   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688   -0.7207   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -1.3365   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9576   -0.5699    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    0.8244    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    1.4641    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    0.6818    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947    1.2350   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223    2.9466    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632    3.5030   -0.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219    3.5645    0.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798    5.0019    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    5.5407    1.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386    5.8130    2.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4472    6.3337    3.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    6.3620    3.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754    5.8740    2.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6645    6.8104    4.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2551    7.2555    5.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850    6.6745    4.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    7.0977    5.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890   -2.6239   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3040   -1.3494   -0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287   -1.3370    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663   -2.4220   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245   -1.0651    0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.3963    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107    2.2128   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600    5.3390   -0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    5.3499   -0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8404    5.6480    1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472    6.6572    4.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9016    6.9396    4.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7339    6.5032    6.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7488    8.1645    5.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2878👍, 0💬