Molecule FYI-1007008

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A

Molecule Summary:

ID: FYI-1007008
Names:
InChIKey: PHIQHXFUZVPYII-UHFFFAOYSA-N
SMILES: C[N+](C)(C)CC(O)CC(=O)[O-]

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007008 Edit

Molecule Structure InChIKey: PHIQHXFUZVPYII-UHFFFAOYSA-N

Molecule Structure SMILES String: C[N+](C)(C)CC(O)CC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007008
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.3622    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007008-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
    0.2079    1.1371    0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846   -0.7489    0.1019 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7101    1.1136   -0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2807   -0.1022   -0.0675 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0217   -0.8790    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2332   -0.0829   -0.0644 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5065   -0.9176    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2924    1.2192    0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    0.1688   -1.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356   -0.8339    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   -0.0741   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -1.8310   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -1.0837    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476    0.1843   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4820   -1.0871    1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4043   -0.3575    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4714   -1.8691   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259    1.9838    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    1.5726    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768    1.0590    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.9136   -1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.7732   -2.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898    0.5673   -1.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798   -1.0919    1.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463   -1.7720   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.9202    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1148👍, 0💬