Molecule FYI-1011618

Home > Molecule

A

Molecule Summary:

ID: FYI-1011618
Names:
InChIKey: GESHRHVYCSRGQP-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011618 Edit

Molecule Structure InChIKey: GESHRHVYCSRGQP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011618
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    6.0621    2.1000    0.0000 O   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
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   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
  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  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011618-3D
FYIcenter.com

 65 64  0  0  0  0  0  0  0  0999 V2000
    0.8788   -0.0404   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962   -0.0472   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -1.4536    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490   -1.4625    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.8718    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4864   -2.8801    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   -4.2884    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187   -4.2904    0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0367   -5.6949    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5581   -5.6902    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765   -7.0932    1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5985   -7.1060    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0865   -8.5283    1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6055   -8.5858    1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1612   -9.9937    1.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7436  -10.9400    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3682  -11.1099   -0.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5576  -11.5498    0.9820 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0643  -12.4574   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3822  -11.7215   -1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6691   -9.9057    1.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3174   -8.8766    1.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2138  -11.1410    2.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5790  -11.2563    1.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5781  -11.6059    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071    0.9722   -0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748   -0.3910    0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4984   -0.6918   -0.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    0.6304    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    0.3311   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -2.1317   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441   -1.8317    1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -0.7904    0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -1.0885   -0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031   -3.5467   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818   -3.2489    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8534   -2.2076    1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8747   -2.5057   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6366   -4.9630   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152   -4.6649    1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8830   -3.6161    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9045   -3.9148   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6761   -6.3714    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536   -6.0732    1.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9192   -5.0117    1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9413   -5.3107    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7103   -7.7663    0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6890   -7.4691    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9687   -6.4395    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9862   -6.7298    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7033   -9.1581    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6782   -8.9152    2.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9678   -7.9062    2.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9994   -8.2000    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8133  -10.3702    2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3378  -13.1112    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8736  -13.0989   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5859  -11.0711   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9499  -12.4303   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0882  -11.0823   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0418  -12.0611    2.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1539  -10.3435    1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0069  -12.5252   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5932  -11.7405   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0881  -10.8198   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1325👍, 0💬