Molecule Editor

Molecule ID: FYI-1015604 Edit

Molecule Structure InChIKey: KVTFEOAKFFQCCX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015604
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  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  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  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  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015604-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    0.9643    0.0924   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    0.0994   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017    1.1162   -1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    1.1243   -1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0330    2.1431   -2.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5507    2.1479   -2.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0617    3.1673   -3.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    3.1699   -3.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0906    4.1907   -4.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6090    4.1957   -4.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1221    5.2188   -5.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6428    5.2278   -5.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1579    6.2553   -6.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6810    6.2706   -6.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2428    7.2934   -7.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7643    7.2704   -7.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4017    6.5117   -6.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4261    8.1318   -7.8969 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8896    8.1560   -7.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3184    9.1868   -8.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4841    9.8321   -9.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6445    9.3503   -9.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -0.6379    0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789   -0.1691   -1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8537   -0.8999   -0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    0.3423    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277    2.1165   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    0.8756   -2.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    0.1274   -1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975    1.3675   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6580    3.1418   -1.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    1.9027   -3.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    1.1503   -2.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270    2.3880   -1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6871    4.1654   -2.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    2.9285   -4.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532    2.1720   -3.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9555    3.4072   -2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7140    5.1878   -3.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7139    3.9521   -5.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9831    3.1976   -4.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9833    4.4317   -3.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7443    6.2145   -4.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7420    4.9812   -6.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0149    4.2289   -5.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0172    5.4613   -4.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7780    7.2484   -5.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7757    6.0143   -7.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0483    5.2663   -6.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0507    6.4944   -5.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8949    8.2976   -6.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8927    7.0529   -8.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9189    8.7641   -8.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2526    7.1686   -8.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2527    8.4284   -6.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3079    8.8359   -8.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  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  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 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 57  1  0  0  0  0
M  END
$$$$