Molecule FYI-1008224

A

Molecule Summary:

ID: FYI-1008224
Names:
InChIKey: AKEOVMPETJXAMQ-VMPITWQZSA-O
SMILES: [H+].C=c2c(=O)c1=CCC(/C=C/C)=Cc1cc2=C=C(O)CCCCC

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008224 Edit

Molecule Structure InChIKey: AKEOVMPETJXAMQ-VMPITWQZSA-O

Molecule Structure SMILES String: [H+].C=c2c(=O)c1=CCC(/C=C/C)=Cc1cc2=C=C(O)CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008224
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    8.3406    6.0592    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2787    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572    2.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8360    2.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9783    4.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4995    5.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3994    6.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9206    7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8205    8.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   10.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   10.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5419    7.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420    6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2632    7.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2415   11.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6203   10.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202   12.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008224-3D
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
    1.3579   -0.1358   -1.7513 H   0  3  0  0  0  0  0  0  0  0  0  0
    1.0231    0.0897    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890    0.0620    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    1.3266    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    2.3386    0.8839 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150    1.3608   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    2.5250   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2070    2.6054   -1.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911    1.3165   -1.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1751    1.4303   -2.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    0.3617   -3.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808    0.4654   -3.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3447    0.1448   -1.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0565    0.0946   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919   -1.0868   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603   -1.1848    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -2.3771    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210   -3.5401    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -4.6808    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270   -3.5985    1.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463   -4.5002    2.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7468   -4.5652    4.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-15, 1153👍, 0💬