Molecule FYI-1001807

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A

Molecule Summary:

ID: FYI-1001807
SMILES: CC(COC(=O)C)OC

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001807 Edit

Molecule Structure SMILES String: CC(COC(=O)C)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001807
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   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
    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 O   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
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001807-3D
FYIcenter.com

 21 20  0  0  1  0  0  0  0  0999 V2000
    0.9738   -0.0204   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981   -0.0026   -0.1784 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9253   -0.0470   -1.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398   -1.2191   -2.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1614   -2.3516   -2.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -2.4301   -1.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5810   -3.5076   -2.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504    1.1881    0.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654    1.2738    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -0.9119   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    0.8673   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    0.0034    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -0.8775    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0142    0.0190   -1.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254    0.8267   -2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -3.2060   -3.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016   -4.2933   -2.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181   -3.8785   -3.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023    2.0665    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    1.5482   -0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944    0.3351    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  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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2023-01-06, 3242👍, 0💬