Molecule FYI-1006509

A

Molecule Summary:

ID: FYI-1006509
Names:
InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M
SMILES: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Received at FYIcenter.com on: 2023-12-29

Molecule ID: FYI-1006509 Edit

Molecule Structure InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M

Molecule Structure SMILES String: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006509
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
   11.9977    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5743    8.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7128    6.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    5.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055    7.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4605    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0743    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    9.6005    2.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372    4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8160    5.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1688    5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5005    7.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  6  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  1  0  0  0  0
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 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006509-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    0.9427    0.7187   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3159    0.0404   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502    0.6255   -1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    0.0595    1.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647    1.1593    2.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    2.6080    1.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1480    1.5819    1.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3425    2.4009    7.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486    2.9021    8.4937 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 58  1  0  0  0  0
M  END
$$$$

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