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CHEBI:88293 - Fast green FCF(1+)

ChEBI IDCHEBI:88293
ChEBI NameFast green FCF(1+)
Stars
DefinitionAn iminium ion that is the free acid form of Fast green FCF.
Last Modified20 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H37N2O10S3
Net Charge+1
Average Mass765.908
Monoisotopic Mass765.16048
SMILESCCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1
InChIInChI=1S/C37H36N2O10S3/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49)/p+1
InChIKeyVVJKKKDJADMKNM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Fast green FCF(1+) (CHEBI:88293) is a iminium ion (CHEBI:35286)
Fast green FCF(1+) (CHEBI:88293) is conjugate acid of Fast green FCF(2−) (CHEBI:88292)
Incoming Relation(s)
Fast green FCF(2−) (CHEBI:88292) is conjugate base of Fast green FCF(1+) (CHEBI:88293)
IUPAC Name 
N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium