Molecule FYI-1014386

A

Molecule Summary:

ID: FYI-1014386
Names:
InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-K
SMILES: O=C([O-])/C=C(CC(=O)[O-])\\C(=O)[O-]

Received at FYIcenter.com on: 2025-04-10

Molecule ID: FYI-1014386 Edit

Molecule Structure InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-K

Molecule Structure SMILES String: O=C([O-])/C=C(CC(=O)[O-])\C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1014386
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    0.0000    0.0000 C   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
    1.2124    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  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
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014386-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    2.2339   -1.3921   -0.7257 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3390    0.4431    0.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177    2.1639    0.2274 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1357    0.8722   -1.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1394    0.2152    0.6507 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.4624   -1.1155   -1.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204   -0.3200    1.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.0982    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.8642    0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -0.4382    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.0991   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -0.5652    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505   -1.2383    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741    0.5138    1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -1.7468    1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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