FD&C; YELLOW NO. 6

Relevant Data

Food Additives Approved by WHO:

SUNSET YELLOW FCF [show]

Food Additives Approved by European Union:

Sunset Yellow FCF/Orange Yellow S [show]

General Information

Mainterm	FD&C; YELLOW NO. 6
Doc Type	ASP
CAS Reg.No.(or other ID)	2783-94-0
Regnum	201.20 74.1706 74.2706 74.706 82.706

From www.fda.gov

Computed Descriptors

2D Structure
CID	5359810
IUPAC Name	disodium;(5Z)-6-oxo-5-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate
InChI	InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16-;;
InChI Key	TXVRKNUZLYFDTJ-KZYDBBBVSA-L
Canonical SMILES	C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Molecular Formula	C16H10N2Na2O7S2
Wikipedia	Sunset Yellow FCF

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	818.0
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 B g m A A I y Y c Y i I C O k A Q A g A A Q A A A g C A E A A 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	Sulfonyls Organic cations Hydrocarbon derivatives Organic oxides Hydrazones 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Organosulfonic acids Cyclic ketones Organic sodium salts Phenylhydrazines
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