Molecule FYI-1002271

A

Molecule Summary:

ID: FYI-1002271
Names:
InChIKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N
SMILES: C=C(C)[C@@H]1CCC(C)=C[C@H]1c2c(O)cc(CCCCC)cc2O

Received at FYIcenter.com on: 2023-02-17

Molecule ID: FYI-1002271 Edit

Molecule Structure InChIKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Molecule Structure SMILES String: C=C(C)[C@@H]1CCC(C)=C[C@H]1c2c(O)cc(CCCCC)cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002271
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    9.8792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1622    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    5.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5135    2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    3.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2973    4.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8648    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5135    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6021    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002271-3D
FYIcenter.com

 53 54  0     1  0  0  0  0  0999 V2000
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   -0.3557    1.3439    2.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020    0.5280   -0.4606 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-03-17, 301👍, 0💬