Molecule Editor

Molecule ID: FYI-1011446 Edit

Molecule Structure InChIKey: BXCRLBBIZJSWNS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1011446
FYIcenter.com

 21 20  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 O   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
    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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011446-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.0586   -0.0526   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.0565   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -1.4401    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169   -1.4498    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1293   -2.8357    0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472   -2.8426    0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1584   -4.2279    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -4.2330    1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1879   -5.6187    1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7064   -5.6258    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2192   -7.0131    1.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7396   -7.0281    1.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2550   -8.4194    2.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7769   -8.4353    2.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3394   -9.8160    2.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8474   -9.7722    2.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5047   -8.7671    2.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3901  -10.9913    2.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6975  -11.1832    2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7944  -10.4672    2.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8696  -10.9464    4.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    0.9436   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706   -0.3257    0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706   -0.7657   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    0.6791    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    0.2412   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7259   -2.1775   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7237   -1.7407    1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936   -0.7189    1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959   -1.1536   -0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7544   -3.5693   -0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7544   -3.1339    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0236   -2.1113    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0236   -2.5445   -0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839   -4.9594    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7816   -4.5272    1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502   -3.5022    1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525   -3.9321    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111   -6.3488    0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111   -5.9182    2.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0807   -4.8950    2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0808   -5.3233    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -7.7406    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8394   -7.3132    2.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1127   -6.2957    2.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1151   -6.7228    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8766   -9.1447    1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8741   -8.7171    3.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1444   -7.6949    2.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1469   -8.1211    1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0026  -10.5464    1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9920  -10.1194    3.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6724  -10.8246    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9018  -12.2589    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6253   -9.3897    2.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7628  -10.6386    2.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0171  -10.7525    4.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  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
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
$$$$