Molecule FYI-1006900

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A

Molecule Summary:

ID: FYI-1006900
Names:
InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N
SMILES: CC(C)CCO

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

Molecule ID: FYI-1006900 Edit

Molecule Structure InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006900
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006900-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
   -2.6099    0.0328   -0.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    0.0081    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    0.0457    0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838   -1.2781   -0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989    1.2211   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482   -0.0297   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6802    0.0071    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.9598    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.7807    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714   -1.3911   -0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916   -1.2808   -1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0965   -2.1585    0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    1.2312   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895    1.2184   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    2.1523    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657    0.7969   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181   -0.9718   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    0.8868    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  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
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1303👍, 0💬