Molecule FYI-1003202

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Molecule FYI-1003202

A

Molecule Summary:

ID: FYI-1003202
Names:
InChIKey: LYKRIFJRHXXXDZ-UHFFFAOYSA-N
SMILES: OCCCCOCCCCO

Received at FYIcenter.com on: 2023-05-23

Molecule ID: FYI-1003202 Edit

Molecule Structure InChIKey: LYKRIFJRHXXXDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCCCOCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003202
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.1567    1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1372    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2445    1.0183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    0.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    0.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5436    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6552    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8236    0.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003202-3D
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
   -0.0002    0.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0848   -0.2571   -0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848   -0.2570    0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919    0.4233    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919    0.4232   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749   -0.4907    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751   -0.4909   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6930   -0.3716    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930   -0.3717   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9099    0.5420   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9099    0.5421    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511    1.0891   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492    1.0777    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    1.0774   -0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511    1.0890    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -1.1291    0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1915   -1.1284   -0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1776   -1.1293   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916   -1.1284    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241   -1.0456   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7459   -1.0178    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7244   -1.0460    0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425   -1.0178   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9280    1.2000    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9143    1.1546   -0.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340    1.2121   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    1.1500    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8433    0.3508   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831   -0.7694   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1692👍, 0💬