Molecule FYI-1014178

A

Molecule Summary:

ID: FYI-1014178
Names:
InChIKey: QMGYPNKICQJHLN-UHFFFAOYSA-M
SMILES: CC(=O)[O-].O=CC(O)C(O)C(O)C(O)CO.[Na+]

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014178 Edit

Molecule Structure InChIKey: QMGYPNKICQJHLN-UHFFFAOYSA-M

Molecule Structure SMILES String: CC(=O)[O-].O=CC(O)C(O)C(O)C(O)CO.[Na+]

Download SDF Download SVG Structure in 2D SDF:

FYI-1014178
FYIcenter.com

 17 14  0  0  0  0  0  0  0  0999 V2000
    6.5985    2.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2985    3.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6985    3.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5985    4.6682    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2208    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    4.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    8.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    5.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    3.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785    2.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5985    6.7682    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014178-3D
FYIcenter.com

 32 29  0  0  1  0  0  0  0  0999 V2000
    0.7566   -1.8803    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -1.3141    1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.5183    2.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0751   -1.4942    0.2890 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1703    1.5673    0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8644    1.1411   -0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007    1.9399   -1.4679 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0089    3.2443   -0.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    1.2360   -1.2791 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4307    0.0392   -2.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5378    2.1600   -1.6608 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7616    1.5027   -1.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801    2.5387   -3.1590 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3911    3.2111   -3.5929 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7795    3.4407   -3.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7972    3.7866   -4.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.0914    2.2339 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0676   -1.0486    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049   -2.5343    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865   -2.4313   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775    0.1540   -1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    2.0122   -2.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    3.1265    0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4885    0.9298   -0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995   -0.6789   -1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4905    3.0750   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6569    0.5703   -1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6638    1.6307   -3.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2196    3.9468   -2.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270    2.9481   -3.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7223    4.3799   -2.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991    3.1705   -5.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 119👍, 0💬