3,3'-(3H-2,1-Benzooxathiol-3-ylidene)bis(6-hydroxy-5-methylbenzoicacid) S,S-dioxide (CHEM063412)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 10:02:10 UTC | ||||||||
| Update Date | 2026-05-20 19:33:08 UTC | ||||||||
| Accession Number | CHEM063412 | ||||||||
| Identification | |||||||||
| Common Name | 3,3'-(3H-2,1-Benzooxathiol-3-ylidene)bis(6-hydroxy-5-methylbenzoicacid) S,S-dioxide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H18O9S1 | ||||||||
| Average Molecular Mass | 470.450 g/mol | ||||||||
| Monoisotopic Mass | 470.067 g/mol | ||||||||
| CAS Registry Number | 2588-24-1 | ||||||||
| IUPAC Name | 5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=CC(C(O)=O)=C1O)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(C(O)=O)=C(O)C(C)=C1 | ||||||||
| InChI Identifier | InChI=1S/C23H18O9S/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29) | ||||||||
| InChI Key | LGKSNCHFKPHIJM-UHFFFAOYSA-N | ||||||||
| 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 | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
