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≥94%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C |
|---|---|
| IUPAC Name | ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate |
| InChIKey | IGVIIKFHGZNQFL-UHFFFAOYSA-N |
| INCHI | 1S/C56H72O12S4/c1-17-61-45(57)29-65-49-37-21-33(53(5,6)7)22-38(49)70-40-24-35(55(11,12)13)26-42(51(40)67-31-47(59)63-19-3)72-44-28-36(56(14,15)16)27-43(52(44)68-32-48(60)64-20-4)71-41-25-34(54(8,9)10)23-39(69-37)50(41)66-30-46(58)62-18-2/h21-28H,17-20,29-32H2,1-16H3 |
| Isómeros SMILES | CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| PubChem CID | 5248766 |
| Peso molecular | 1065.42 |
| Reaxy-Rn | 8183890 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Phenoxyacetic acid derivatives Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Phenoxyacetate - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
| Peso molecular | 1065.400 g/mol |
|---|---|
| XLogP3 | 16.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 24 |
| Exact Mass | 1064.39 Da |
| Monoisotopic Mass | 1064.39 Da |
| Topological Polar Surface Area | 243.000 Ų |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Complexity | 1440.000 |
| 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 |