Molecule Editor

Molecule ID: FYI-1016664 Edit

Molecule Structure InChIKey: NYUNHMRXBVASOA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016664
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4869    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106    4.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456    4.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761    3.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7691    3.6491    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016664-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
   -1.8249    0.4030   -0.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.3104   -0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1098   -0.5765    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -0.9106    1.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908    2.3473   -0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    2.7391   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530    2.0827    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -2.3251   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4653   -1.9136   -1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    1.6934    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    1.5589    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789   -1.9541   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087   -1.9823   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902   -0.6482    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2198   -0.8244    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928    3.1565   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    1.4695   -1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394    3.6918   -0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6102    2.9061   -1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    3.0061    1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    1.3419    1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842   -1.8779    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -3.4128    0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.9047   -1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523   -2.5873   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835    1.9630    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    1.6545    1.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    1.4367    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257    2.2623   -0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650   -2.7203   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -1.9058   -1.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -1.9468   -1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063   -2.9203   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$