Molecule FYI-1007389

A

Molecule Summary:

ID: FYI-1007389
Names:
InChIKey: AYWLCKHHUFBVGJ-UHFFFAOYSA-N
SMILES: CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007389 Edit

Molecule Structure InChIKey: AYWLCKHHUFBVGJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007389
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    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
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 O   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
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   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
    1.2124    3.5000    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  2  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
 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  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007389-3D
FYIcenter.com

 74 73  0  0  0  0  0  0  0  0999 V2000
    3.8690   -1.7775    3.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127   -2.6973    2.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6787   -3.8149    1.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789   -1.8696    0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9879   -2.7056   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572   -1.8506   -1.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3295   -2.7319   -2.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120   -1.9500   -3.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6484   -2.9164   -4.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605   -2.2891   -5.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5165   -2.1668   -5.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2083   -1.9157   -4.4426 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116   -2.5514   -6.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5341   -2.6075   -6.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0303   -3.1986   -8.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5696   -2.3954   -9.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373   -2.8511  -10.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0475   -3.7561  -10.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8846   -1.9875  -11.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9701   -1.6171  -12.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8612   -2.2242  -13.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0123   -1.6934  -14.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9946   -2.2381  -16.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1867   -1.6810  -16.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2257   -2.2185  -18.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4022   -1.6638  -19.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7628   -2.0289  -18.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3154   -2.1845  -20.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.3424    3.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -1.2884    2.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5341   -0.9977    3.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494   -3.1563    2.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588   -3.4175    1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421   -4.3412    2.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131   -4.5624    1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8237   -1.0781    1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595   -1.3685    0.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3544   -3.4830   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044   -3.2129    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2171   -1.0761   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7407   -1.3437   -1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6624   -3.5147   -2.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1399   -3.2419   -1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5932   -1.1669   -2.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1178   -1.4402   -3.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9568   -3.6895   -4.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4389   -3.4423   -3.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6044   -1.8390   -7.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116   -3.5499   -7.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9239   -3.2199   -6.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9465   -1.6014   -6.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921   -4.2371   -8.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1266   -3.2313   -8.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8454   -1.3436   -9.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4861   -2.4655   -9.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9367   -1.8620  -12.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9307   -0.5242  -12.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8948   -1.9669  -14.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8937   -3.3183  -13.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9649   -1.9563  -14.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9663   -0.5974  -14.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0567   -1.9604  -16.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0448   -3.3330  -16.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1048   -1.9535  -16.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1355   -0.5857  -16.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2848   -1.9573  -18.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2770   -3.3136  -18.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3241   -0.5694  -19.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8686   -3.1128  -18.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9065   -1.5669  -17.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5766   -1.6739  -19.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3876   -3.2773  -20.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -1.7745  -21.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3668   -1.8940  -21.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 924👍, 0💬