Molecule FYI-1008123

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A

Molecule Summary:

ID: FYI-1008123
Names:
InChIKey: SNTRKUOVAPUGAY-UHFFFAOYSA-N
SMILES: CP(=O)(F)OC1CCCCC1

Received at FYIcenter.com on: 2024-04-17

Molecule ID: FYI-1008123 Edit

Molecule Structure InChIKey: SNTRKUOVAPUGAY-UHFFFAOYSA-N

Molecule Structure SMILES String: CP(=O)(F)OC1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008123
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    3.3124    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    1.2125    0.0000    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
    4.1498    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008123-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    2.1980    0.0008   -0.0338 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.8448    1.4768   -0.4438 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -0.8228   -0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -0.4624   -0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -0.4484    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106    0.9956   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4741   -1.4126   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841    1.4129    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476   -0.9955    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740    0.4481   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -0.1924    1.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -0.5335    1.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6388    1.1388   -1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0157    1.6920    0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2377   -2.4293    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840   -1.4576   -1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    2.4262   -0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699    1.4455    1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -1.1035    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6136   -1.6648   -0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336    0.7365    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2894    0.5234   -1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3957   -1.2508    2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    0.2820    2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    0.2790    2.2641 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 11  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  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
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1909👍, 0💬