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CHEBI:757638 - brilliant blue g free acid

Default Structure
ChEBI IDCHEBI:757638
ChEBI Namebrilliant blue g free acid
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC47H49N3O7S2
Net Charge0
Average Mass832.057
Monoisotopic Mass831.30119
SMILESCCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)cc2)cc1
InChIInChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)
InChIKeyYVNQAIFQFWTPLQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
brilliant blue g free acid (CHEBI:757638) is a aromatic amine (CHEBI:33860)