Molecule FYI-1007885

A

Molecule Summary:

ID: FYI-1007885
Names:
InChIKey: YMWZNWGYMGIMDC-FWWOJAOHSA-J
SMILES: COc6cccc5C=[N+]1C(C)C(=O)O[Cu]124(OC(=O)C(C)[N+]2=Cc3cccc(OC)c3O4)Oc56

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007885 Edit

Molecule Structure InChIKey: YMWZNWGYMGIMDC-FWWOJAOHSA-J

Molecule Structure SMILES String: COc6cccc5C=[N+]1C(C)C(=O)O[Cu]124(OC(=O)C(C)[N+]2=Cc3cccc(OC)c3O4)Oc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007885
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.2890    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5836    6.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805    6.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    4.9379    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    4.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691    2.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    2.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2289    5.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 32 25  1  0  0  0  0
 33 32  1  0  0  0  0
 33  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007885-3D
FYIcenter.com

 55 60  0  0  1  0  0  0  0  0999 V2000
    1.6436    0.2369    0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    0.1959   -0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317    1.2691   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    2.5982   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    3.6715   -1.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9164    3.4655   -2.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    2.1562   -3.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    1.9069   -4.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815    1.1327   -4.2567 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2120    1.9685   -3.9171 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4837    1.4143   -4.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    2.1564   -2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9704    1.4337   -1.8266 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0299   -0.3214   -2.7412 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    4.5758   -1.5035   -1.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6518   -2.3522   -4.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778   -1.7335   -3.4770 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2477   -2.2733   -3.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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