Molecule FYI-1001137

Home > Molecule

A

Molecule Summary:

ID: FYI-1001137
SMILES: COC(OC)CC(CO)C(O)CCl

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

Molecule ID: FYI-1001137 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001137
FYIcenter.com

 13 12  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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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  4  1  0  0  0  0
  6  3  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  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001137-3D
FYIcenter.com

 30 29  0  0  1  0  0  0  0  0999 V2000
    0.8312    0.0498   -2.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493    0.1843   -2.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.6651   -0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013   -0.1912    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -1.4877    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288    0.8475   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.6667   -2.1869 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3794    3.1442   -2.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    3.2990   -2.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3543    1.5884   -2.2264 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8749    2.0813   -0.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763    0.1758   -2.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    0.1647   -2.7012 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5377   -0.1838   -3.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    0.9792   -1.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -0.7752   -1.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    1.6285   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298   -2.1537    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8544   -1.4642    0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -1.8923   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762   -0.1475   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    1.2677   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4183    1.2383   -3.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    3.7063   -2.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968    3.6151   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6712    2.7644   -2.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7166    2.2671   -3.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    1.3370   -0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4598   -0.1991   -3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511   -0.5324   -1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  5 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
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-19, 1220👍, 0💬