Molecule FYI-1006645

A

Molecule Summary:

ID: FYI-1006645
Names:
InChIKey: ACVXGYXDJXAWGY-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1O

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006645 Edit

Molecule Structure InChIKey: ACVXGYXDJXAWGY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c1cc(CCC(=O)OCCO)cc(C(C)(C)C)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006645
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006645-3D
FYIcenter.com

 53 53  0     0  0  0  0  0  0999 V2000
    3.9542   -0.0994    0.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6318    0.2021    0.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568    0.2161   -1.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6066   -0.9240    1.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870    2.4630    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -2.5543    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693    1.1905   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -1.2228   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -0.0444    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988    0.0678   -0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699    1.2469   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0938    2.5919   -0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2306    2.6377    1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 52  1  0  0  0  0
M  END
$$$$

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2024-01-15, 197👍, 0💬