Molecule FYI-1004429

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A

Molecule Summary:

ID: FYI-1004429
Names:
InChIKey: STCOOQWBFONSKY-UHFFFAOYSA-N
SMILES: CCCCOP(=O)(OCCCC)OCCCC

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

Molecule ID: FYI-1004429 Edit

Molecule Structure InChIKey: STCOOQWBFONSKY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOP(=O)(OCCCC)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004429
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004429-3D
FYIcenter.com

 44 43  0     0  0  0  0  0  0999 V2000
   -0.0186    0.9624    0.8627 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    1.2399   -0.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877    1.2056   -0.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.6395    1.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    1.7824    2.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    1.3354   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6053    1.2384   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -2.9584    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508    1.0076    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864    0.9382    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5280    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9957    1.0918   -0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0326    0.9864   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0669   -3.9720   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0032    1.3791   -1.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0494    1.3286   -1.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287   -5.3979   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    0.7285   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4405    2.3795   -1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4916    2.2805   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3859    0.6247   -1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063   -3.0941    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442   -3.1270    1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -0.0393    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    1.6430    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650    1.5697    1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505   -0.1106    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -1.3352   -0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -1.3600   -0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    0.0511    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2151    1.7280    0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2393    1.5898    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1491   -0.0654    0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385   -3.7872   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.8554   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    0.7336   -2.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9381    2.4212   -1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208    1.1996   -0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9812    2.3838   -1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8901    0.7210   -2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0645    1.1391   -0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287   -5.5560    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7445   -5.6265    0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493   -6.1071   -0.9279 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  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2579👍, 0💬