≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)CCCCCCC |
|---|---|
| IUPAC Name | [4-[5-[4-(4-heptylbenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 4-heptylbenzoate |
| InChIKey | YEHGFVANALXATC-UHFFFAOYSA-N |
| INCHI | 1S/C42H46N2O5/c1-3-5-7-9-11-13-31-15-19-35(20-16-31)41(45)47-37-27-23-33(24-28-37)39-43-44-40(49-39)34-25-29-38(30-26-34)48-42(46)36-21-17-32(18-22-36)14-12-10-8-6-4-2/h15-30H,3-14H2,1-2H3 |
| Isómeros SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)CCCCCCC |
| PubChem CID | 70700793 |
| Peso molecular | 658.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| External Descriptors | Not available |
| Peso molecular | 658.800 g/mol |
|---|---|
| XLogP3 | 12.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 20 |
| Exact Mass | 658.341 Da |
| Monoisotopic Mass | 658.341 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 855.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
