Molecule FYI-1006151

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A

Molecule Summary:

ID: FYI-1006151
Names:
InChIKey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006151 Edit

Molecule Structure InChIKey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006151
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    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
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   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  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  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006151-3D
FYIcenter.com

 54 53  0     0  0  0  0  0  0999 V2000
   -6.3094   -0.9359   -1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1506    0.3643    0.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736   -2.0952   -0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -1.2849   -1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443   -2.6456   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    2.1103    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1370    1.9513    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285   -0.8007   -1.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232    2.9473    1.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    1.0884   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -3.5378    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    0.0956   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    3.1547    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828    0.9035    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975   -2.8676    2.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    1.3813   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472    1.8695    0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205    0.0679   -0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014   -1.6499    2.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6470   -0.1167   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -1.4666    0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809   -2.9303   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740   -1.9056   -2.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918   -0.4298   -1.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332   -1.8130   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781   -3.2385   -1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    1.1169   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343    2.5887   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1557    1.4923    1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053    2.9389    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4669   -0.2663   -2.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900   -1.6752   -1.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1008    2.4681    2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    3.9306    1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    0.1067   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419    1.5573   -1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -3.9271    0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -4.4087    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    0.3483   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443   -0.4501    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0751    3.8038    1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    3.6823   -0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8534    1.8860    0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807    0.4242    1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -3.6036    2.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9335   -2.5812    2.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0176    1.9806   -1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597    1.2772    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2420    0.5542   -1.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7669   -0.9241   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386   -1.8926    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.2857    3.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -0.8311    1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2374   -1.0852   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 54  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
M  END
$$$$

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2023-12-08, 283👍, 0💬