Molecule FYI-1006855

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Molecule Summary:

ID: FYI-1006855
Names:
InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
SMILES: CCCCCCC(=O)O

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006855 Edit

Molecule Structure InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006855
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.5046    2.0913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2548    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006855-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
   -3.9215    0.6976    0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268   -1.3416   -0.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    0.6032   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -0.3077    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.2147   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.4594    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    0.6679   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7720   -0.4425    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8394   -0.1217   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    1.2072   -0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.2974    0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.9316    0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -0.9903   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -0.8431    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -0.8985   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    1.1268    0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    1.0961   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    1.2836   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385    1.3278    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6871    0.1578    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7947   -1.0976   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736   -1.0692    0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7615    0.1918    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 23  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  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 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

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