Molecule FYI-1002407

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A

Molecule Summary:

ID: FYI-1002407
Names:
InChIKey: GBVWPPWEMLURPQ-UHFFFAOYSA-N
SMILES: CCCC(=O)C(CC)C(=O)C(=O)O

Received at FYIcenter.com on: 2023-03-15

Molecule ID: FYI-1002407 Edit

Molecule Structure InChIKey: GBVWPPWEMLURPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)C(CC)C(=O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002407
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   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
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  3  6  2  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  2  1  0  0  0  0
  7 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002407-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    4.0761   -0.0417    2.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -0.2182    1.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478   -0.8647    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905   -0.9978   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9591   -0.2056   -1.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -2.1507   -1.4283 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0690   -2.2458   -2.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -2.4947   -3.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8895   -2.0370   -1.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5213   -0.9961   -1.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014   -3.3260   -1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1953   -4.4251   -1.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0165   -3.0611   -1.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2094    0.3849    3.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    0.6344    3.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141   -1.0003    3.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453    0.7606    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791   -0.8373    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273   -1.8624    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8569   -0.2688    0.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -3.0662   -0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6459   -3.0714   -3.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992   -1.3376   -3.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -3.2489   -2.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4944   -2.8464   -4.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104   -1.5764   -3.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530   -2.0876   -1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2023-04-13, 1215👍, 0💬