Molecule Editor

Molecule ID: FYI-1016382 Edit

Molecule Structure InChIKey: AWBGDSYFWZQDQI-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCOCC(CC)(COCCO)COCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016382
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
    9.4091    2.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2439    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360    2.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3818    3.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2184    4.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5293    1.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    2.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4441    1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1638    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8661    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9290    2.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2029    2.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7020    6.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5386    7.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0222    8.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8805    1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6726    2.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    1.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2658    3.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091    2.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2398    3.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    1.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5397    2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1072    4.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7033    3.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  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
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016382-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    5.0201    3.0227   -2.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2849    2.7597   -2.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8641    1.4243   -2.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2803    0.5042   -3.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1355    1.4065   -2.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    0.1504   -2.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4141   -0.8482   -1.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0795   -2.0942   -1.6986 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7131   -3.0772   -0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4587   -4.4080   -0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9841   -5.5532   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5089   -5.9115   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1680   -4.8829   -2.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8527   -6.1198   -2.6816 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5157   -6.6594   -3.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2967   -7.9535   -4.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9527   -8.9140   -3.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0001   -4.1262   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4475   -3.4684    0.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3276   -4.2853    1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8191   -3.6545    2.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2214   -3.4531    2.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9319   -4.5888    2.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4915   -5.7121    3.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3464   -4.2265    2.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2884   -5.1604    3.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785    3.9945   -2.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3988    2.2764   -3.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9113    3.4983   -2.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8925    0.3479   -2.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6433   -0.2554   -3.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3341   -1.0104   -1.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6812   -0.4500   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -3.2227   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9559   -2.6949    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1235   -5.3127    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -6.4548   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -5.0463    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3459   -6.6705    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603   -6.3184   -0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953   -4.1449   -3.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4399   -6.8647   -3.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3747   -7.7782   -4.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0681   -8.3819   -5.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1270   -8.4742   -2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2974   -3.4503   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5918   -5.0370   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640   -5.2722    1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2831   -4.3444    1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227   -4.2860    3.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3401   -2.6816    2.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5846   -3.1980    2.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0195   -6.1876    3.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3380   -4.9068    2.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
$$$$