Molecule FYI-1004425

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A

Molecule Summary:

ID: FYI-1004425
Names:
InChIKey: DQWPFSLDHJDLRL-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)OCC

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004425 Edit

Molecule Structure InChIKey: DQWPFSLDHJDLRL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(=O)(OCC)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004425
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 P   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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004425-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
    0.1753    0.0257    0.7441 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4893   -0.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4218    1.1524   -0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681   -1.2093    0.6309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236    0.5021    2.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    0.4223   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6658    1.7501    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907   -1.7547   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817   -0.2765   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182    2.7630   -1.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -2.8857   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.2834   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226    0.7704    0.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403    0.9796    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5850    2.2425    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -0.9792   -1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -2.1303   -1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5247    0.4001   -1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -1.1491   -0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265   -0.6426   -1.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    3.2476   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411    3.5308   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846    2.2806   -1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482   -3.3325   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -3.6632    0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -2.5243    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$

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2023-09-16, 1381👍, 0💬