Molecule FYI-1007251

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A

Molecule Summary:

ID: FYI-1007251
Names:
InChIKey: PROGLDIFOASZKH-UHFFFAOYSA-N
SMILES: O=IC1CCCCC1C(=O)O

Received at FYIcenter.com on: 2024-02-11

Molecule ID: FYI-1007251 Edit

Molecule Structure InChIKey: PROGLDIFOASZKH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=IC1CCCCC1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007251
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   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
    1.2125    1.4000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  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-1007251-3D
FYIcenter.com

 22 22  0  0  1  0  0  0  0  0999 V2000
    0.8947    0.0464    0.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -0.0087    0.0804 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739   -0.0960   -0.0176 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4178    0.9421   -1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0405    0.5801   -2.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5706   -0.8155   -2.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172   -1.8655   -1.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997   -1.5099   -0.3804 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9105   -2.5486    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389   -3.4996    0.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207   -2.4425    1.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    0.1874    0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5272    0.9736   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295    1.9517   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744    1.3288   -3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368    0.5998   -2.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817   -0.8125   -2.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2755   -1.0762   -3.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4372   -2.8591   -2.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -1.9184   -1.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5109   -1.4985   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7659   -1.7205    2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1432👍, 0💬