4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate (CHEM273072)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 16:59:37 UTC | ||||||||
| Update Date | 2026-08-26 16:59:37 UTC | ||||||||
| Accession Number | CHEM273072 | ||||||||
| Identification | |||||||||
| Common Name | 4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is categorized as a lipid and lipid-like molecule with the formula C32H56O8Sn. With an average molecular weight of 687.50 g/mol, 4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C32H56O8Sn | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 688.300 g/mol | ||||||||
| CAS Registry Number | 29575-02-8 | ||||||||
| IUPAC Name | 4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCC)OC(=O)C=CC(=O)OCCCC | ||||||||
| InChI Identifier | InChI=1S/2C8H12O4.2C8H17.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-5-7-8-6-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*5-4-;;; | ||||||||
| InChI Key | GKOTWPKLOWTGAG-NRFIWDAESA-L | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
