Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy-, sodium salt (1:3) (CHEM114160)
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:14:37 UTC | ||||||||
| Update Date | 2026-05-20 19:39:49 UTC | ||||||||
| Accession Number | CHEM114160 | ||||||||
| Identification | |||||||||
| Common Name | Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy-, sodium salt (1:3) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H11Na3O10S2 | ||||||||
| Average Molecular Mass | 544.390 g/mol | ||||||||
| Monoisotopic Mass | 543.949 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Trisodium 2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].[Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C([O-])C(=C1)S([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1/C20H14O10S2.3Na/c21-15-7-5-11(9-17(15)31(24,25)26)20(14-4-2-1-3-13(14)19(23)30-20)12-6-8-16(22)18(10-12)32(27,28)29;;;/h1-10,21-22H,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3 | ||||||||
| InChI Key | BLWPFMRCWCZECF-UHFFFAOYSA-K | ||||||||
| 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 | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
