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CHEBI:87072 - acid green 5(2−)

ChEBI IDCHEBI:87072
ChEBI Nameacid green 5(2−)
Stars
ASCII Nameacid green 5(2-)
DefinitionAn organosulfonate oxoanion obtained by the removal of two protons from N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium (the free acid form of the biological stain 'acid green 5').
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H34N2O9S3
Net Charge-2
Average Mass746.885
Monoisotopic Mass746.14374
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-2
InChIKeyFVGANPIKNNCIKX-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
acid green 5(2−) (CHEBI:87072) is a organosulfonate oxoanion (CHEBI:33554)
acid green 5(2−) (CHEBI:87072) is conjugate base of acid green 5(1+) (CHEBI:87070)
Incoming Relation(s)
acid green 5 (CHEBI:87065) has part acid green 5(2−) (CHEBI:87072)
acid green 5(1+) (CHEBI:87070) is conjugate acid of acid green 5(2−) (CHEBI:87072)
IUPAC Name 
3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-sulfonatophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate
Synonyms  Source
acid green 5 anionChEBI
acid green 5 dianionChEBI