Xylenol orange, tetrasodium salt (CHEM114157)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:14:17 UTC | ||||||||
| Update Date | 2026-05-20 19:39:35 UTC | ||||||||
| Accession Number | CHEM114157 | ||||||||
| Identification | |||||||||
| Common Name | Xylenol orange, tetrasodium salt | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H28N2Na4O13S | ||||||||
| Average Molecular Mass | 760.590 g/mol | ||||||||
| Monoisotopic Mass | 760.090 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Tetrasodium 2,2',2'',2'''-{(2,2-dioxo-2,3-dihydro-1,2lambda~6~-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].[Na+].[Na+].[Na+].CC1=CC(=CC(CN(CC([O-])=O)CC([O-])=O)=C1O)C1(C2=CC=CC=C2OS1(=O)=O)C1=CC(CN(CC([O-])=O)CC([O-])=O)=C(O)C(C)=C1 | ||||||||
| InChI Identifier | InChI=1S/C31H32N2O13S.4Na/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)46-47(31,44)45)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;;;;/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;/q;4*+1/p-4 | ||||||||
| InChI Key | FXYMNKLSOQONJB-UHFFFAOYSA-J | ||||||||
| 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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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
