FADB-China

FADB-China ID	C0040
Substance Name	Tartrazine
Substance Chinese Name	柠檬黄
Molecular Name	Tartrazine
Molecular Chinese Name	柠檬黄
2D Structure
CAS Number	1934-21-0
PubChem CID	164825
Formula	C16H9N4Na3O9S2
IUPAC Name	Trisodium;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate
InChI Key	UJMBCXLDXJUMFB-UHFFFAOYSA-K
InChI	InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
Canonical SMILES	C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES	C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CFM-ID 3.0	URL Link
Related links	Circulation
Addition Purposes	Improve color
Molecular Synonyms	Tartrazine 1934-21-0 Yellow 5 Aizen tartrazine Trisodium salt C.I. ACID YELLOW 23 Food Yellow 4 Tartrazine FD&C Yellow #5 Atul Tartrazine Erio Tartrazine
Data Uploader	MinQing Cai
Update Date	Aug 02, 2019 10:48

Property Name	Property Value
Molecular Weight	534.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Complexity	949
Monoisotopic Mass	533.95040308
Exact Mass	533.95040308
Formal Charge	0
Heavy Atom Count	34
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	4

Related Foods

FADB-China ID	F0041
Food Image
Food Name	Yellow croaker
Food Chinese Name	大黄鱼、小黄鱼
Food Type	Non-processed food
References	List of food additives that may be easily abused in food (fifth batch)

ID	Structure	Name	Source	PubChem Link
		FD&C YELLOW NO. 5, ALUMINUM LAKE	HPV EPA Chemicals	Link

Title	DOI/PubMed/ISSN
St John's wort (Hypericum perforatum) products - an assessment of their authenticity and quality.	29496168
List of food additives that may be easily abused in food (fifth batch)