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CHEBI:31695 - indigo carmine

ChEBI IDCHEBI:31695
ChEBI Nameindigo carmine
Stars
DefinitionAn organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.
Last Modified5 December 2019
DownloadsMolfile

FormulaC16H8N2O8S2.2Na
Net Charge0
Average Mass466.360
Monoisotopic Mass465.95175
SMILESO=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]
InChIInChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;
InChIKeyKHLVKKOJDHCJMG-QDBORUFSSA-L

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonate
Synonyms  Source
Indigotindisulfonate sodiumKEGG DRUG
IndigocarmineKEGG DRUG
Disodium indigo-5,5-disulfonateChemIDplus
C.I. Natural Blue 2ChemIDplus
Disodium 5,5'-indigotin disulfonateChemIDplus
Disodium 3,3'-dioxo-(delta2,2'-biindoline)-5,5'-disulfonateChemIDplus
Brand Names  Source
Indigo carmineKEGG DRUG
C.I. 73015ChEBI
C.I. 75781ChEBI
Acid blue 74ChEBI
Natural blue 2ChEBI
Manual XrefsDatabases
D01563KEGG DRUG
HMDB0059912HMDB
Indigo_carmineWikipedia
Registry NumbersSources
Reaxys:905434Reaxys
CAS:860-22-0KEGG COMPOUND
CAS:860-22-0ChemIDplus
Citations