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CHEBI:87070 - acid green 5(1+)

ChEBI IDCHEBI:87070
ChEBI Nameacid green 5(1+)
Stars
DefinitionThe iminium ion derived from acid green 5 (the disodium salt).
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H37N2O9S3
Net Charge+1
Average Mass749.909
Monoisotopic Mass749.16557
SMILESCCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1
InChIInChI=1S/C37H36N2O9S3/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1
InChIKeyFVGANPIKNNCIKX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
acid green 5(1+) (CHEBI:87070) is a iminium ion (CHEBI:35286)
acid green 5(1+) (CHEBI:87070) is conjugate acid of acid green 5(2−) (CHEBI:87072)
Incoming Relation(s)
acid green 5(2−) (CHEBI:87072) is conjugate base of acid green 5(1+) (CHEBI:87070)
IUPAC Name 
N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium
Synonym  Source
acid green 5 free acid formChEBI