Molecule FYI-1007936

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A

Molecule Summary:

ID: FYI-1007936
Names:
InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N
SMILES: CCCCOCCO

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007936 Edit

Molecule Structure InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007936
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007936-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
   -0.6145   -0.3419   -0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    0.1882    0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -0.3490   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    0.5042   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    0.5095   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976   -0.3569    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8246    0.4034    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9978   -0.5574   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686   -1.0041   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669   -1.0169    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    1.1672    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701    1.1416   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    1.1466    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    1.1478   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697    1.0359    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    1.0625   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192   -0.9816    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479   -1.0120   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916    0.2744    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9711   -1.2364    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9838   -1.1738   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2180    0.7005    0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
$$$$

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2024-04-14, 139👍, 0💬