Molecule Editor

Molecule ID: FYI-1016666 Edit

Molecule Structure InChIKey: SSLVLTUBNVMPMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCNCC(C)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016666
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    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 O   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
   13.3368    3.5000    0.0000 O   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 N   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
    7.2747    0.0000    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
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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 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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016666-3D
FYIcenter.com

 49 48  0  0  1  0  0  0  0  0999 V2000
    6.5662    1.0611    4.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4922    2.0385    3.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6277    1.8480    2.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4775    2.8667    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480    2.8016    0.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1766    2.3165   -0.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3539    1.4397   -1.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    3.1552   -2.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    2.7722   -3.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100    3.7148   -4.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    3.7703   -4.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    4.7221   -5.6384 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4459    6.1666   -5.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4232    4.7043   -5.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0853    4.4591   -4.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    5.1191   -6.7859 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3008    5.5685   -6.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2390    4.5821   -7.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6642    5.1414   -7.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6546    4.2233   -8.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7337    1.2369    5.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    1.1826    4.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5024    0.0284    4.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196    3.0616    3.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    1.9192    2.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180    0.8310    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6030    1.9701    2.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121    3.8778    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5033    2.7647    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9380    3.0515   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5679    4.1977   -1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3338    2.7548   -3.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7607    1.7559   -3.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356    4.6406   -4.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7656    2.7623   -4.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7779    4.0960   -3.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779    4.3617   -6.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494    6.5347   -4.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3597    6.2658   -5.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8928    6.8334   -6.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6361    5.7839   -5.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3184    6.5238   -7.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8988    4.3956   -8.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2063    3.6149   -6.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9951    5.3133   -6.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6780    6.1122   -7.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7063    3.2500   -7.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6567    4.6663   -8.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3814    4.0595   -9.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  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
 17 18  1  0  0  0  0
 17 41  1  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
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
M  END
$$$$