Molecule FYI-1015043

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A

Molecule Summary:

ID: FYI-1015043
Names:
InChIKey: VVUJWLDQIIFQHI-UHFFFAOYSA-N
SMILES: CCCCCCP(=O)(OCC)OCC

Received at FYIcenter.com on: 2025-06-18

Molecule ID: FYI-1015043 Edit

Molecule Structure InChIKey: VVUJWLDQIIFQHI-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015043
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015043-3D
FYIcenter.com

 37 36  0     0  0  0  0  0  0999 V2000
    1.5874   -0.0433   -0.7646 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -0.5661    0.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007    1.5566   -0.5625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -0.4837   -2.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -0.0976   -0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827   -0.6393    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1418   -0.6035    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6966   -0.0993   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8983   -0.6141    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2037   -0.0531    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9936   -1.9552    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012    2.1367    0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369   -2.1825    1.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882    3.6444    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    0.9985   -0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.3862   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -1.7351    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -0.3560    1.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296   -1.6984    0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -0.3218    1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7930   -0.3967   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.9972   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7979   -0.3331    1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9307   -1.7090    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3508   -0.3413   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2163    1.0398    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0497   -0.4351    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762   -2.4751   -0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260   -2.3419    0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    1.8112    1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    1.8215    1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636   -1.6516    2.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1217   -1.7922    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3853   -3.2476    1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664    3.9796    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    3.9822   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654    4.1258    1.5687 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  2  0  0  0  0
  1  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1146👍, 0💬