Molecule FYI-1012468

A

Molecule Summary:

ID: FYI-1012468
Names:
InChIKey: KGLWWUFCHPOQFM-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N2C=C=C(B1OC(C)(C)C(C)(C)O1)CC2

Received at FYIcenter.com on: 2024-09-06

Molecule ID: FYI-1012468 Edit

Molecule Structure InChIKey: KGLWWUFCHPOQFM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)N2C=C=C(B1OC(C)(C)C(C)(C)O1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012468
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.0693    7.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7693    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9818    6.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4693    4.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5569    5.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3444    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3444    7.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1320    5.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 19  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012468-3D
FYIcenter.com

 48 49  0  0  0  0  0  0  0  0999 V2000
    2.2172    0.6590    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -0.2425   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955   -1.3358    0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.6475   -1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2919   -0.1840   -0.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0113   -0.1007   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256    0.1151    0.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2437   -0.2059   -1.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649   -0.2965   -3.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8808   -0.3891   -4.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9968   -0.4816   -5.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4379   -0.6588   -6.5854 B   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1609    0.5513   -8.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 48  1  0  0  0  0
M  END
$$$$

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2024-09-28, 443👍, 0💬