Molecule Editor

Molecule ID: FYI-1016275 Edit

Molecule Structure InChIKey: XBVCXCNGNQZCES-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(=O)OCCCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016275
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
   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 Cl  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  2  0  0  0  0
 10  8  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016275-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
   -5.4518    1.7384   -0.6458 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194    0.1196    0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8815   -1.7895   -0.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575   -0.3600   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599    0.3930    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    0.5213    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333   -0.4803   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775   -0.2196   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.2551    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958    0.6642    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015   -0.6135   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2621   -0.5805    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4103    0.3518    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -1.2584    0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -0.6938   -1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    1.3005   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.7106    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.4282   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3992    0.8410    1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.8203   -1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -1.3829    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581   -0.5552   -1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656   -1.1144    0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    0.6126    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.1169   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9628    0.9934    1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    1.5519   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8106    0.1140   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2656   -1.4264    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3699   -0.9622   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2922    0.7630    1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3708   -0.1662    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  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  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  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
 10 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$