for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=CC=C4C(=O)O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;6-anilino-3-[(2-carboxyphenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate |
| InChIKey | LVOFSWXWJSVXOA-UHFFFAOYSA-L |
| INCHI | 1S/C23H17N3O6S.2Na/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29;;/h1-13,24,27H,(H,28,29)(H,30,31,32);;/q;2*+1/p-2 |
| Isomeric SMILES | C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC=CC=C4C(=O)O)[O-].[Na+].[Na+] |
| PubChem CID | 135666407 |
| Molecular Weight | 507.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Naphthalene sulfonates |
| Direct Parent | 2-naphthalene sulfonates |
| Alternative Parents | 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Aniline and substituted anilines Benzoyl derivatives Phenoxides Primary aromatic amines Sulfonyls Organosulfonic acids Carboxylic acid salts Azo compounds Amino acids Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Secondary amines Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Phenoxide - Primary aromatic amine - Monocyclic benzene moiety - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid salt - Amino acid or derivatives - Amino acid - Azo compound - Organic alkali metal salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 507.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 507.048 Da |
| Monoisotopic Mass | 507.048 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 796.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
