EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90114 - Guinee green B(1+)

ChEBI IDCHEBI:90114
ChEBI NameGuinee green B(1+)
Stars
DefinitionAn iminium ion that is the free acid form of Guinee green B.
Last Modified27 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H37N2O6S2
Net Charge+1
Average Mass669.845
Monoisotopic Mass669.20876
SMILESCCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2)cc1
InChIInChI=1S/C37H36N2O6S2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)/p+1
InChIKeySRRJCDUOSQWHGS-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Guinee green B(1+) (CHEBI:90114) is a iminium ion (CHEBI:35286)
Guinee green B(1+) (CHEBI:90114) is conjugate acid of Guinee green B(1−) (CHEBI:90115)
Incoming Relation(s)
Guinee green B(1−) (CHEBI:90115) is conjugate base of Guinee green B(1+) (CHEBI:90114)
IUPAC Name 
N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(phenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium