ORANGE GGN
General Information
| Synonyms: | CI FOOD ORANGE 2, EEC SERIAL No. E111 |
| Chemical Names: | DISODIUM SALT OF 1-(3-SULFOPHENYLAZO)-2-NAPHTHOL-6-SULFONIC ACID |
| CAS number: | 2347-72-0 |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 1977 |
| ADI: | DECISION POSTPONED |
| Meeting: | 28 |
| Specs Code: | W |
| Report: | TRS 617-JECFA 21/20 |
| Tox Monograph: | FAS 12-JECFA 21/81 |
| Specification: | WITHDRAWN (1984) |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 5359706 |
| IUPAC Name | disodium;(5Z)-6-oxo-5-[(3-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate |
| InChI | InChI=1S/C16H12N2O7S2.2Na/c19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16-;; |
| InChI Key | FABGVTFMFVQCBO-KZYDBBBVSA-L |
| Canonical SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+] |
| Molecular Formula | C16H10N2Na2O7S2 |
| Wikipedia | food orange 2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 452.363 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Complexity | 826.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B 7 O D B g 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 I A A A A A A A A C B Q A A A H g Q Y A A A A D A y B 2 A A w w Y B i A A K o A 6 R y Q H D S B E A g A g A Y i B k g Z N g I I L K A l Z G A I A R g m A A I y Y c Y i I C O k A A A g C A Q A A A g A A E A Q C A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 173.0 |
| Monoisotopic Mass | 451.972 |
| Exact Mass | 451.972 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| 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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Cyclic ketone - Organic alkali metal salt - Hydrazone - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Organic salt - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
From ClassyFire