Molecule Editor

Molecule ID: FYI-1016183 Edit

Molecule Structure InChIKey: FYURGFQVSMALOD-UHFFFAOYSA-M

Molecule Structure SMILES String: O=CCCCCCCCCC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016183
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016183-3D
FYIcenter.com

 30 29  0     0  0  0  0  0  0999 V2000
   -6.2403   -0.8245   -0.0621 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2373    1.2254    0.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2956   -1.1335    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539    0.4769    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790   -0.2739   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371   -0.4946    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    0.6527   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6717    0.2566    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330   -0.0984   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8686   -0.6894    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9285    0.8500    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2547   -0.0390   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    0.0916    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924    1.1135    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242    1.1373   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038   -0.9306   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490   -0.9227    0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869   -1.1440   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -1.1419    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547    1.2700   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3496    1.3395    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    0.9255    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    0.8928   -0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574   -0.7487    0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7564   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299   -1.2901    0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8009   -1.3870   -0.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.4839    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    1.4960   -0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1420    0.7111    0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  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 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$