Molecule FYI-1004330

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A

Molecule Summary:

ID: FYI-1004330
Names:
InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES: O=C(O)CCC(=O)C(=O)O

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004330 Edit

Molecule Structure InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCC(=O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004330
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004330-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
    3.7402   -0.6979    0.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693   -1.6692   -0.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7936    1.3637   -0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037   -0.3863    0.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    1.6090    0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.3062   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699   -0.6143   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1592   -0.4522   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    0.1465    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    0.3946    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    0.9525    0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    0.9439   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   -1.2357   -0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362   -1.2740    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921   -0.2119    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3343    0.1353    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

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2023-09-07, 3229👍, 0💬