Molecule Editor

Molecule ID: FYI-1016312 Edit

Molecule Structure InChIKey: IGUDFDLEZONYFU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2ccc(C(=O)OCOC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016312
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
 18 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016312-3D
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.4391    0.3077   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    0.8904    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3133    1.7577   -0.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    1.1630   -1.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8336    0.0641   -0.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193    2.0011   -2.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8429    1.5272   -3.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2220    2.2555   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800    3.4618   -4.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0013    4.2117   -5.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8881    3.8436   -6.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589    5.3344   -5.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5869    6.1764   -6.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059    7.0179   -6.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    8.1334   -5.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    8.5001   -5.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6893    8.8811   -5.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6181   10.0609   -4.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7811   10.7794   -4.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0248   10.3279   -5.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3021   11.0151   -4.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3618   10.4195   -4.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1949   12.3508   -4.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    9.1475   -5.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9378    8.4283   -6.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567    3.9324   -3.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1806    3.2083   -2.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920   -0.3101   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526   -0.3002   -1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298    1.1110   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    0.1100    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9063    1.5036    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3367    0.5820   -2.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0134    1.8703   -4.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7010    6.7710   -7.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8187    5.5838   -7.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6557   10.4145   -4.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6959   11.6597   -4.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3441   12.7382   -4.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0619    8.7741   -6.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0302    7.5094   -6.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    4.8593   -3.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3707    3.5937   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$