CHEBI:176136 - C.I. Food Red 6

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name C.I. Food Red 6
ChEBI ID CHEBI:176136
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16N2O7S2.Na.Na
Net Charge 0
Average Mass 494.440
Monoisotopic Mass 494.01943
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
SMILES S([O-])(=O)(=O)C=1C=C2C(=C(/N=N/C3=C(C=C(C(=C3)C)C)C)C1O)C=CC(S([O-])(=O)=O)=C2.[Na+].[Na+]
ChEBI Ontology
Outgoing 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 Xref Database
16735975 ChemSpider
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