≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488201703 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201703 |
| Canonical Smiles | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| IUPAC Name | trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate |
| InChIKey | FFUMCSDSJNSMQH-HEXQVDJKSA-K |
| INCHI | 1S/C23H18O9S.3Na/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;3*+1/p-3/b19-14+;;; |
| Isomeric SMILES | CC1=CC(=CC(=C1[O-])C(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| WGK Germany | 3 |
| PubChem CID | 54686803 |
| Molecular Weight | 536.39 |
| Beilstein | 3873874 |
| Reaxy-Rn | 3873874 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Aromatic monoterpenoids Benzenesulfonic acids and derivatives Salicylic acids Monocyclic monoterpenoids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids P-quinomethanes Ortho cresols Benzoyl derivatives Toluenes Dicarboxylic acids and derivatives Sulfonyls Vinylogous acids Organosulfonic acids Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Aromatic monoterpenoid - Salicylic acid - Salicylic acid or derivatives - Monoterpenoid - Benzenesulfonate - Monocyclic monoterpenoid - Hydroxybenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Quinomethane - P-quinomethane - O-cresol - Benzoyl - Toluene - Phenol - Dicarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organosulfonic acid or derivatives - Vinylogous acid - Cyclic ketone - Ketone - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic salt - Carbonyl group - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | organic sodium salt - organosulfonate salt |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2209096 | Certificate of Analysis | Jun 11, 2026 | B100835 |
| I2209097 | Certificate of Analysis | Jun 11, 2026 | B100835 |
| H1510010 | Certificate of Analysis | Apr 12, 2023 | B100835 |
| A2329047 | Certificate of Analysis | Jan 30, 2023 | B100835 |
| J2522131 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214076 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214078 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214079 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214082 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214086 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| L2214087 | Certificate of Analysis | Oct 25, 2022 | B100835 |
| I2209095 | Certificate of Analysis | Jul 27, 2022 | B100835 |
| F2207313 | Certificate of Analysis | Jun 10, 2022 | B100835 |
| Molecular Weight | 536.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 536.013 Da |
| Monoisotopic Mass | 536.013 Da |
| Topological Polar Surface Area | 183.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1030.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 4 |
| 1. Chao Weng, Man Ding, Shanghua Fan, Qian Cao, Zuneng Lu. (2017) Transcription factor 7 like 2 promotes oligodendrocyte differentiation and remyelination. Molecular Medicine Reports, 16 (2): (1864-1870). [PMID:28656232] [10.3892/mmr.2017.6843] |
