Molecule FYI-1010154

A

Molecule Summary:

ID: FYI-1010154
Names:
InChIKey: NVYGLIYHVMMTJQ-SILNSSARSA-N
SMILES: CCCCCCCC/C(C)=C\\CCCCCCCC(=O)OCC(O)CO

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010154 Edit

Molecule Structure InChIKey: NVYGLIYHVMMTJQ-SILNSSARSA-N

Molecule Structure SMILES String: CCCCCCCC/C(C)=C\CCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1010154
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    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
   19.3989    2.8000    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
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    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  2  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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 22  1  0  0  0  0
 26  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010154-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
    5.6967   -0.6699    5.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6359   -1.8020    4.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6764   -1.9581    3.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6089   -3.0932    2.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359   -3.2348    1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561   -4.3687    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5482   -4.4882   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458   -5.6354   -1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5349   -5.7271   -2.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742   -6.6440   -3.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4539   -5.0492   -3.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599   -4.0913   -2.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8831   -4.5610   -3.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737   -3.5882   -2.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3030   -4.0255   -2.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3031   -3.0563   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7213   -3.5223   -2.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7714   -2.5867   -1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1543   -3.1024   -2.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4118   -4.1165   -2.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0771   -2.3081   -1.4532 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3122   -2.9789   -1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1749   -3.6876    0.1867 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.1157   -4.6544    0.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4934   -4.3616    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3865   -5.0318    1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763   -0.5697    6.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -0.8658    4.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0325    0.2823    4.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923   -2.7399    5.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381   -1.5985    5.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138   -1.0198    2.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6662   -2.1556    2.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730   -4.0314    3.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214   -2.8949    3.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700   -2.2930    0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6211   -3.4258    0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295   -5.3127    1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763   -4.1755    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8878   -3.5352   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5232   -4.6492   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0980   -6.5863   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4470   -5.5024   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807   -7.1297   -2.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222   -7.4322   -3.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9768   -6.0878   -4.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4802   -5.1734   -4.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3403   -3.9594   -1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924   -3.1042   -3.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0603   -4.6227   -4.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0361   -5.5670   -2.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7001   -3.5396   -1.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7077   -2.5819   -2.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4694   -4.0807   -3.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4636   -5.0331   -2.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1477   -3.0043   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1471   -2.0482   -2.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8599   -3.5936   -3.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8656   -4.5338   -1.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6646   -2.5508   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6644   -1.5783   -2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0988   -2.2180   -1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5835   -3.6808   -1.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8754   -2.9609    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4221   -5.4298   -0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2982   -3.6265    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7695   -5.1156   -0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9737   -4.4205    2.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 44  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
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 18  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 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 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1241👍, 0💬