≥98% 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.
Cesium ionophore II is an ethylammonium-selective membrane electrode
| Canonical Smiles | CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C |
|---|---|
| IUPAC Name | ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetate |
| InChIKey | SRCAFCZTEHDYRE-UHFFFAOYSA-N |
| INCHI | 1S/C90H120O18/c1-25-97-73(91)49-103-79-55-31-57-39-68(86(10,11)12)41-59(80(57)104-50-74(92)98-26-2)33-61-43-70(88(16,17)18)45-63(82(61)106-52-76(94)100-28-4)35-65-47-72(90(22,23)24)48-66(84(65)108-54-78(96)102-30-6)36-64-46-71(89(19,20)21)44-62(83(64)107-53-77(95)101-29-5)34-60-42-69(87(13,14)15)40-58(81(60)105-51-75(93)99-27-3)32-56(79)38-67(37-55)85(7,8)9/h37-48H,25-36,49-54H2,1-24H3 |
| Isomeric SMILES | CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C |
| Molecular Weight | 1489.91 |
| Reaxy-Rn | 3647841 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3647841&ln= |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Hexacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hexacarboxylic acids and derivatives |
| Alternative Parents | Phenoxyacetic acid derivatives Phenol ethers Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Hexacarboxylic acid or derivatives - Phenoxyacetate - Phenol ether - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. |
| External Descriptors | Not available |
| Melt Point(°C) | 257-263° C (lit.) |
|---|---|
| Molecular Weight | 1489.900 g/mol |
| XLogP3 | 23.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1488.85 Da |
| Monoisotopic Mass | 1488.85 Da |
| Topological Polar Surface Area | 213.000 Ų |
| Heavy Atom Count | 108 |
| Formal Charge | 0 |
| Complexity | 2240.000 |
| 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 |
I2429150