C.I. Food Red 6 (CHEBI:176136)

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CHEBI:176136 - C.I. Food Red 6

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ChEBI ID	CHEBI:176136
ChEBI Name	C.I. Food Red 6
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H16N2O7S2.2Na
Net Charge	0
Average Mass	494.458
Monoisotopic Mass	494.01943
SMILES	Cc1cc(C)c(/N=N/c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1C.[Na+].[Na+]
InChI	InChI=1S/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-20+;;
InChIKey	SWPPXVFKWWEYSV-SERMZQFOSA-L

ChEBI Ontology

Outgoing Relation(s)
	C.I. Food Red 6 (CHEBI:176136) is a naphthalenesulfonic acid (CHEBI:36336)

IUPAC Name
disodium;3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulonate

Manual Xrefs	Databases
16735975	ChemSpider