[4-[Bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium (CHEM095531)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 07:01:50 UTC | ||||||||
| Update Date | 2026-04-05 07:01:50 UTC | ||||||||
| Accession Number | CHEM095531 | ||||||||
| Identification | |||||||||
| Common Name | [4-[Bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H28NO6 | ||||||||
| Average Molecular Mass | 461.514 g/mol | ||||||||
| Monoisotopic Mass | 462.192 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(CC(O)=O)C=C(C=C1)C(C1=CC(CC([O-])=O)=C(OC)C=C1)=C1C=CC(C=C1)=[N+](C)C | ||||||||
| InChI Identifier | InChI=1/C27H27NO6/c1-28(2)22-9-5-17(6-10-22)27(18-7-11-23(33-3)20(13-18)15-25(29)30)19-8-12-24(34-4)21(14-19)16-26(31)32/h5-14H,15-16H2,1-4H3,(H-,29,30,31,32)/p+1 | ||||||||
| InChI Key | MGMYROMQJFVQNK-UHFFFAOYSA-O | ||||||||
| 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 | ||||||||
