Molecule Editor

Molecule ID: FYI-1016409 Edit

Molecule Structure InChIKey: DRFXERAGDWDZKD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CC(=O)OCCCCCCOC(=O)CC(=O)OCCCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016409
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    3.6373    0.7000    0.0000 C   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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4871    0.7000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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  2  0  0  0  0
 11  9  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016409-3D
FYIcenter.com

 54 54  0     0  0  0  0  0  0999 V2000
    2.8889   -2.1646    0.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -2.8258    1.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239    2.8611   -0.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    2.2173   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545   -3.4374   -0.9491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -3.9283   -0.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    4.0971    0.8006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335    3.2168    1.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.2822   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264    0.7844    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9360   -1.0140    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   -0.1134   -1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109   -1.1475   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392    2.2825    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6322   -2.4216   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9815    1.2442   -0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -2.2109    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -3.3166    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    3.1912   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9680    2.0656    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -2.5834    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    2.7967   -0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627   -2.8031    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -3.2037    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    3.3401   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135    2.7909    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5999    0.9380   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910    0.3390    0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    0.5569    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025    0.2463    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0255   -0.5756    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6745   -1.0783    0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805    0.0400   -1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2922   -0.6203   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.1577   -1.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693   -1.4020   -1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    2.4918    1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580    2.5264    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5581   -2.8818   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3562   -3.2106   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356   -2.0568    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6573   -3.3311    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418   -4.3512    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    4.2456   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8294    3.0747   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839    3.0586    0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421    1.5763    1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377   -3.0028    1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -1.5014    0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7503    3.4002   -1.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326    1.7561   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 19  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
$$$$