Molecule FYI-1005745

A

Molecule Summary:

ID: FYI-1005745
Names:
InChIKey: JJNVDCBKBUSUII-UHFFFAOYSA-N
SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4

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

Molecule ID: FYI-1005745 Edit

Molecule Structure InChIKey: JJNVDCBKBUSUII-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005745
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8802    1.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433   -0.5887    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9853   -1.5284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6168    0.0295    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3580   -0.9364    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0485   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6297   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
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  4 12  1  0  0  0  0
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  5 22  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005745-3D
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
    5.0224    0.0047   -0.7866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4181    0.3772   -0.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235    2.6592    0.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081   -1.0029    0.9004 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -0.3558   -1.2994 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9062    0.8154   -0.4068 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9206   -1.3614   -0.5243 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1876    0.4757    0.8760 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4155   -1.1202   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.9225    0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    0.3321   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439   -1.6539    1.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    1.6116   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    1.5038    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562    0.2238    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1071    2.6376    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6474   -0.2045   -1.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0206   -1.7386    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 23  1  0  0  0  0
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 11 30  1  0  0  0  0
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M  END
$$$$

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2023-11-18, 2500👍, 0💬