Molecule FYI-1001304

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Molecule Summary:

ID: FYI-1001304
SMILES: CC[C@@H](C)O.CC[C@H](C)O

Received at FYIcenter.com on: 2022-05-09

Molecule ID: FYI-1001304 Edit

Molecule Structure SMILES String: CC[C@@H](C)O.CC[C@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001304
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001304-3D
FYIcenter.com

 30 28  0  0  1  0  0  0  0  0999 V2000
    2.4631    0.5379   -0.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    0.5474   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    0.7732    1.1940 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0203   -0.2903    2.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6075    1.0406    1.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -3.4712   -0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -3.2020   -0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -2.5383    0.8513 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6598   -1.2976    1.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647   -2.2422    0.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    0.7828   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    1.2567   -0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -0.4523   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    1.3864   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083   -0.3420   -0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    1.6844    1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716   -1.2064    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.5281    2.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    0.0734    3.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    0.2070    0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660   -3.9053   -1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -2.5259   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -4.1406    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589   -2.5916   -1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009   -4.1443   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -3.2434    1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219   -0.7395    0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905   -0.5840    1.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440   -1.5887    1.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301   -2.2632   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  1  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8 26  1  1  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 465👍, 0💬