Molecule Editor

Molecule ID: FYI-1016410 Edit

Molecule Structure InChIKey: ZFIJRDAYXHVLLY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCCC(=O)OCCOC(=O)c1ccc(cc1)C(=O)OCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016410
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.6079    7.5725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    6.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963    4.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    3.5991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4267    0.1751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3472    2.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8588    3.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9633    4.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6519    6.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9519    7.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0464    8.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    8.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    9.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    9.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0590    8.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2762    9.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2858   10.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0782   11.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610   10.6164    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  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  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  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 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20  1  1  0  0  0  0
 21 20  2  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016410-3D
FYIcenter.com

 49 50  0  0  0  0  0  0  0  0999 V2000
    0.2974    4.7956    3.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296    5.6978    2.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0155    7.0600    2.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    8.2405    3.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    8.1759    4.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8941    7.2749    5.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916    6.2422    6.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    5.4144    6.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700    4.6351    7.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980    5.4368    6.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447    6.6149    6.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    6.3551    5.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180    7.6123    4.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    7.8256    3.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7232    8.9425    3.3709 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    6.7352    3.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3104    6.9546    2.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    5.8706    1.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6496    4.5875    2.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.3947    3.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    5.4740    4.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2757    3.5299    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1224    2.8957    0.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906    3.4138    0.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    4.2459    1.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416    4.2256    1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    5.5619    1.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136    6.7919    1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    7.5105    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662    8.4341    3.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781    9.1436    2.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3231    7.9032    3.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774    9.1866    4.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929    7.9502    6.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    6.6339    4.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    5.5704    5.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182    6.7048    7.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    6.9373    7.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037    7.4783    5.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    5.6912    4.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    5.9235    5.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3711    7.9461    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3691    6.0288    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702    3.3913    3.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1071    5.2155    4.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594    5.2811    1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575    3.9327    2.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289    3.4269    1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    4.0480    0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  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 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$