Molecule FYI-1006658

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A

Molecule Summary:

ID: FYI-1006658
Names:
InChIKey: VKQLGLKKZKIBEU-UHFFFAOYSA-N
SMILES: C=CC(=C)OCC(COC(=O)C=C)OC(=O)C=C

Received at FYIcenter.com on: 2024-01-10

Molecule ID: FYI-1006658 Edit

Molecule Structure InChIKey: VKQLGLKKZKIBEU-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006658
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006658-3D
FYIcenter.com

 34 33  0  0  1  0  0  0  0  0999 V2000
    4.3234    3.5806    4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3703    3.4704    3.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5738    3.0509    2.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309    2.9989    1.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    2.7378    1.9966 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582    2.3301    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6755    2.1402    0.4758 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0385    1.6120   -0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360    0.4030   -1.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9041   -0.7314   -0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9052   -0.8065   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898   -1.8743   -1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388   -3.1217   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242    3.3438    0.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840    4.4436    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    4.5180   -0.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935    5.5653    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    6.7623   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0746    3.9041    5.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3640    3.3551    4.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    3.7173    3.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.2680    1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234    2.6985    0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    3.0898   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6416    1.3834    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9932    1.4035    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234    1.4770   -1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719    2.3282   -1.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2171   -1.6682   -1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3200   -3.3187   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   -3.9723   -1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6601    5.3881    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    6.9150   -0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4549    7.6155    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

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2024-01-15, 214👍, 0💬