Molecule Editor

Molecule ID: FYI-1012626 Edit

Molecule Structure InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012626
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   13.4919    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4919    6.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    3.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2654    1.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8123    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0479    3.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9062    1.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    2.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8123    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5857    3.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592    5.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3022    3.8516    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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25  9  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012626-3D
FYIcenter.com

 62 61  0  0  0  0  0  0  0  0999 V2000
    1.8710    8.9623   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    7.6691   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    6.9890    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    5.6537    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657    5.7399   -0.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1598    5.3966   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5407    5.7798    0.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8568    4.3455   -1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    4.3766   -1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    4.1446    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6467    2.8660    1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9147    2.0219    0.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1646    2.8182    2.2787 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    1.9745    3.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2363    0.7395    3.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104   -0.0987    4.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1470   -1.3459    5.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528    3.3214   -1.9327 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8204    3.4261   -3.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800    2.2810   -4.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174    4.3190   -3.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530    5.7493   -1.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447    6.0360   -1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    6.6029   -1.8527 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2673    7.9985   -1.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0820    8.4779   -3.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3674    8.2652   -4.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    8.7591   -5.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    9.4433   -1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    9.6667   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914    8.7700    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489    7.8916   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325    6.9957   -1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2772    6.8004    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101    7.6670    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1195    4.9847   -0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    5.1745    1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963    4.4681   -2.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4675    3.3729   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8316    4.9768    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1573    4.1034    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4705    1.6796    2.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2406    2.5930    4.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1837    1.0424    4.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    0.1433    2.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654   -0.3965    4.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1525    0.5049    5.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969   -1.9875    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -1.9242    5.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0722   -1.0853    5.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2048    1.7728   -3.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0229    2.6693   -4.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7235    1.5648   -4.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    8.2175   -0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    8.5285   -1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445    7.9583   -3.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2982    9.5441   -2.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4127    8.8026   -4.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1452    7.2031   -4.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4385    9.8276   -5.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7009    8.6042   -6.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    8.2196   -5.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END
$$$$