Molecule FYI-1004088

A

Molecule Summary:

ID: FYI-1004088
Names:
InChIKey: GSHOEUWNYRHMRQ-UHFFFAOYSA-N
SMILES: C[O+4:1]1(C)(C)(C)[CH2:1][CH2:1][O:1][CH2:1]1

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004088 Edit

Molecule Structure InChIKey: GSHOEUWNYRHMRQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C[O+4:1]1(C)(C)(C)[CH2:1][CH2:1][O:1][CH2:1]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004088
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    0.0000    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    1.3316    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
    2.1543    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    1.3316    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
    1.7643    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    2.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988    0.9338    0.0000 C   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
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004088-3D
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.7632   -0.1337   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0941   -0.0423    0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1627    0.0917    1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -0.3694    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    0.2232   -1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -1.6153    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -1.4508    1.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8005    0.2923    1.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    1.0897    0.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5409   -0.9721   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.9185   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -0.2699    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609   -0.8435    1.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    1.0121    1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    0.4979    2.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051   -0.8903    2.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -0.8507    2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   -0.3149   -0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211   -0.5542   -1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008    0.5398   -1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    1.2321   -1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9808   -2.0539   -0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   -2.4797    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6759   -1.7476    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -1.8843    2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    1.8650    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8591    1.8564    1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  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  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
M  END
$$$$

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2023-08-25, 2462👍, 0💬