NAPHTHOL YELLOW S
General Information
| Synonyms: | ACID YELLOW, CI FOOD YELLOW 1, EXT D AND C YELLOW No. 7, EXT D AND C YELLOW No. 8 |
| Chemical Names: | SODIUM OR POTASSIUM SALT OF 8-HYDROXY-5,7-DINITRO-2-NAPHTHALENESULFONIC ACID |
| CAS number: | 846-70-8 |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 1964 |
| Meeting: | 28 |
| Specs Code: | W |
| Report: | NMRS 38/TRS 309-JECFA 8/23 |
| Specification: | WITHDRAWN (1984) |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 2724063 |
| IUPAC Name | disodium;5,7-dinitro-8-oxidonaphthalene-2-sulfonate |
| InChI | InChI=1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2 |
| InChI Key | CTIQLGJVGNGFEW-UHFFFAOYSA-L |
| Canonical SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+] |
| Molecular Formula | C10H4N2Na2O8S |
| Wikipedia | ext. D&c yellow no. 7 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 358.188 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Complexity | 519.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y B z P D B A A A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A D B U A A A H g Q E A A A A D A y B 2 A A w x 8 A Q Q A K B A i R C Q 3 D C A E A g I g A o i B g F b I o K J i K A 0 d O A M A B k w F E I y A e w w L A O m E A B w A Q a E A A w g A O A C D Q g A A A A A A A A A A = = |
| Topological Polar Surface Area | 180.0 |
| Monoisotopic Mass | 357.948 |
| Exact Mass | 357.948 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| 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 |
|
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-nitronaphthalene - 2-nitronaphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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. |
From ClassyFire