Molecule FYI-1011440

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A

Molecule Summary:

ID: FYI-1011440
Names:
InChIKey: ISYWECDDZWTKFF-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCC(=O)O

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

Molecule ID: FYI-1011440 Edit

Molecule Structure InChIKey: ISYWECDDZWTKFF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011440
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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  1  0  0  0  0
 11 10  1  0  0  0  0
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 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011440-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    0.9144   -0.0664   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311   -0.0625   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9569    1.1871   -0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751    1.1991   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870    2.4467   -1.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5059    2.4561   -1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0176    3.7011   -2.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5350    3.7074   -2.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    4.9531   -2.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5636    4.9574   -2.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748    6.2047   -3.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5924    6.2111   -3.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1056    7.4589   -4.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250    7.4650   -4.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1481    8.7112   -4.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6732    8.7174   -4.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1930    9.9657   -5.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7206   10.0216   -5.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1716   11.2816   -6.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4283   12.1266   -6.8525 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5210   11.4066   -6.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382   -0.9616    0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -0.0538   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6151    2.4780   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850    1.5605   -1.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    2.4277   -0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6412    4.5977   -1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6430    3.7312   -3.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120    2.8118   -2.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9097    3.6759   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6706    5.8489   -2.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6707    4.9868   -3.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9391    4.0624   -3.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    4.9236   -1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6975    7.0990   -3.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6997    6.2372   -4.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7296    7.4908   -5.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9985    6.5686   -4.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9961    7.4306   -3.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7686    9.6055   -4.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7710    8.7442   -5.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0437    7.8203   -5.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1144    9.1522   -6.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1119   10.0232   -4.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0217   10.6785   -6.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
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 18 58  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 59  1  0  0  0  0
M  END
$$$$

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2024-08-14, 790👍, 0💬