Disodium (Z,E)-(1)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioate (CHEM111090)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 22:33:58 UTC | ||||||||
| Update Date | 2026-04-05 22:33:58 UTC | ||||||||
| Accession Number | CHEM111090 | ||||||||
| Identification | |||||||||
| Common Name | Disodium (Z,E)-(1)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H26Na2O5 | ||||||||
| Average Molecular Mass | 356.370 g/mol | ||||||||
| Monoisotopic Mass | 356.158 g/mol | ||||||||
| CAS Registry Number | 53023-59-9 | ||||||||
| IUPAC Name | Disodium (2Z,4E)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].[Na+].COC(C)(C)CCCC(C)C\C=C(\C([O-])=O)/C(/C)=C\C([O-])=O | ||||||||
| InChI Identifier | InChI=1/C17H28O5.2Na/c1-12(7-6-10-17(3,4)22-5)8-9-14(16(20)21)13(2)11-15(18)19;;/h9,11-12H,6-8,10H2,1-5H3,(H,18,19)(H,20,21);;/q;2*+1/p-2/b13-11-,14-9+;; | ||||||||
| InChI Key | IWKNJYKHJUQZSN-OUNIDKGRSA-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 | ||||||||
| Spectra | |||||||||
| Spectra |
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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 | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
