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CHEBI:82411 - Brilliant Blue

Default Structure
ChEBI IDCHEBI:82411
ChEBI NameBrilliant Blue
Stars
DownloadsMolfile
FormulaC37H34N2O9S3.2Na
Net Charge0
Average Mass792.865
Monoisotopic Mass792.12218
SMILESCCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Na+].[Na+]
InChIInChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChIKeySGHZXLIDFTYFHQ-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Brilliant Blue (CHEBI:82411) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Brilliant Blue FCF, disodium saltKEGG COMPOUND
Manual XrefsDatabases
C19352KEGG COMPOUND
Registry NumbersSources
CAS:3844-45-9KEGG COMPOUND