Trisodium hydrogen 3,3'-(3H-2,1-benzoxathiol-3-ylidene)bis[6-oxido-5-methylbenzoate S,S-dioxide (CHEM107512)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 19:45:01 UTC | ||||||||
| Update Date | 2026-04-05 19:45:01 UTC | ||||||||
| Accession Number | CHEM107512 | ||||||||
| Identification | |||||||||
| Common Name | Trisodium hydrogen 3,3'-(3H-2,1-benzoxathiol-3-ylidene)bis[6-oxido-5-methylbenzoate S,S-dioxide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H18O9S.3Na | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | Not Available | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | sodium 2-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1/C23H18O9S.Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);/q;+1/p-1/rC23H17NaO9S/c1-11-7-13(9-16(20(11)25)22(27)28)19(14-8-12(2)21(26)17(10-14)23(29)30)15-5-3-4-6-18(15)34(31,32)33-24/h3-10,25H,1-2H3,(H,27,28)(H,29,30) | ||||||||
| InChI Key | YWHYSJOAKQSHNO-UHFFFAOYSA-M | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
