Molecule FYI-1001136

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A

Molecule Summary:

ID: FYI-1001136
SMILES: COC(O)CC(CO)C(O)CCl

Received at FYIcenter.com on: 2022-01-28

Molecule ID: FYI-1001136 Edit

Molecule Structure SMILES String: COC(O)CC(CO)C(O)CCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001136
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  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  3  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  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001136-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    0.9728   -2.1566    0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945   -2.1306    0.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -1.2580   -0.3136 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4690    0.0737   -0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937   -1.3194   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -2.7303   -0.6056 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5329   -3.3106   -1.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8754   -2.4524   -3.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5376   -2.7160   -0.5416 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0369   -1.8219   -1.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756   -2.3666    0.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8545   -2.4889    0.9079 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6800   -2.9088    1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -2.4273   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5851   -1.1881    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -1.5342   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315    0.3107    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7643   -0.9435    0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7524   -0.6053   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285   -3.4084    0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -3.4584   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9915   -4.2893   -2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8338   -2.2548   -2.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -3.7156   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -0.9385   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6759   -3.0482    1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8401   -1.3379    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-19, 1671👍, 0💬