Molecule FYI-1001135

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Molecule Summary:

ID: FYI-1001135
SMILES: OC(O)CC(CO)C(O)CCl

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

Molecule ID: FYI-1001135 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001135
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    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  2  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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001135-3D
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
    2.5554    1.2495    0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381   -0.1005    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -0.1535   -0.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933   -0.8223   -1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3367   -0.7383   -1.1644 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9768   -1.4090    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009   -0.6634    1.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887   -1.3852   -2.4580 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4594   -2.7501   -2.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4830   -0.6068   -3.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.3137   -5.1759 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    1.3487    0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623   -0.5668    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -0.7717    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -0.3954   -2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -1.8716   -1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    0.3210   -1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673   -1.4722   -0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5990   -2.4286    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494   -0.0688    1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816   -1.4015   -2.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   -2.8019   -3.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8031    0.4373   -3.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4053   -0.6411   -3.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2022-02-19, 3057👍, 0💬