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[2-Acetyloxy-4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate (HCID 69637733)|Huagongshe
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Compound
[2-Acetyloxy-4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
HCID
69637733
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(=O)Oc1cc(C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1
InChIKey
JOMVPCDMRLJQKI-UHFFFAOYSA-N
Molecular formula
C22H20O8
Average molar mass
412.4 g/mol
Names & identifiers
Preferred name
[2-Acetyloxy-4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
IUPAC
[2-acetyloxy-4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
Names & synonyms
SCHEMBL6017261
Database identifiers
PubChem CID
69637733
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
30
Formal charge
0
Complexity
646
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Related reactions
1 records
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As product
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As solvent
HRID
287348
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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