Molecule FYI-1004204

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A

Molecule Summary:

ID: FYI-1004204
Names:
InChIKey: WQZGKKKJIJFFOK-UHFFFAOYSA-N
SMILES: OCC1OC(O)C(O)C(O)C1O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004204 Edit

Molecule Structure InChIKey: WQZGKKKJIJFFOK-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC1OC(O)C(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004204
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004204-3D
FYIcenter.com

 24 24  0     1  0  0  0  0  0999 V2000
   -0.6679    1.1587    0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -2.4483   -0.3388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -2.0693    0.4696 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8609    0.5414   -0.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222    2.6552    0.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742    0.9717   -0.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727   -1.2470    0.2300 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0856   -1.0709   -0.1940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2211   -0.0621   -0.2375 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6082    0.3151    0.1839 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6388    1.4132   -0.2534 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6550   -0.1577    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248   -1.3522    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066   -1.2487   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2548   -0.0098   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    0.3598    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5967    1.5141   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6916   -0.1535    1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564   -1.0581   -0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -2.3615   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973   -2.9356    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7165    0.4989   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4876    2.5033    1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9192    1.7652    0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2563👍, 0💬