Molecule FYI-1004514

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A

Molecule Summary:

ID: FYI-1004514
Names:
InChIKey: SYEOWUNSTUDKGM-UHFFFAOYSA-N
SMILES: CC(CCC(=O)O)CC(=O)O

Received at FYIcenter.com on: 2023-09-11

Molecule ID: FYI-1004514 Edit

Molecule Structure InChIKey: SYEOWUNSTUDKGM-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004514
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004514-3D
FYIcenter.com

 23 22  0     1  0  0  0  0  0999 V2000
   -2.8484    1.9190    0.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4979    1.1349    0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    0.5602   -1.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.2662   -1.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434   -1.2445    0.6428 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4894   -0.9427   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6987   -0.0066    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6407   -2.2947   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076    0.0538    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675    0.8145   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    0.2724   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868   -1.7019    1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -0.5848   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0357   -1.8877   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -0.3310    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399    0.6584    1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8730   -1.9655   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702   -3.2267   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -2.5267    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6303   -0.3121    1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146    1.0286    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513    2.4623   -0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3630    1.2797    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  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 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2156👍, 0💬