| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM33568999-1 |
| Product Name | Dioctylbis(isooctyl maleate)tin |
| CAS | 33568-99-9 |
| Structure |  |
| Synonyms | 2-Butenedioic acid (2Z)-, 1,1'-(dioctylstannylene) 4,4'-diisooctyl ester |
| IUPAC Name | 4-O-[[(E)-4-(6-methylheptoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(6-methylheptyl) (E)-but-2-enedioate |
| Molecular Weight | 799.70 |
| Molecular Formula | C40H72O8Sn |
| Canonical SMILES | CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C |
| InChI | InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;+2/p-2/b2*8-7+; |
| InChIKey | XITDVRBPGQGVFK-FTHVFMQUSA-L |
| Complexity | 853 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 800.424922 |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCC(C)C)CCCCCCCC |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 800.424922 |
| Physical State | Yellow oily liquid |
| Rotatable Bond Count | 36 |
| Topological Polar Surface Area | 105 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![Diisooctyl 2,2'-[(dimethylstannylene)bis(thio)]diacetate](https://resource.alfa-chemistry.com/structure/26636-01-1.gif)
