Molecule FYI-1007942

A

Molecule Summary:

ID: FYI-1007942
Names:
InChIKey: AQARKTASOBROAE-UHFFFAOYSA-N
SMILES: CC15CCCCC1CCC4C3CCC(C2COC(=O)C2)C3(C)CCC45

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007942 Edit

Molecule Structure InChIKey: AQARKTASOBROAE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC15CCCCC1CCC4C3CCC(C2COC(=O)C2)C3(C)CCC45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007942
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
    8.7651    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8977    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0441    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3230    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4556    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3093    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0303    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007942-3D
FYIcenter.com

 61 65  0  0  1  0  0  0  0  0999 V2000
    2.3894   -0.3795    2.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -0.2241    1.5851 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0275   -1.1996    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994   -2.6798    0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8976   -2.0835    3.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -0.6186    2.6315 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0079    0.3077    3.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5429    6.6626   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2866    6.2025   -2.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5191    6.1519   -3.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0071    5.8202   -1.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-04-14, 144👍, 0💬