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CHEBI:87059 - acid fuchsin (free acid form)

ChEBI IDCHEBI:87059
ChEBI Nameacid fuchsin (free acid form)
Stars
DefinitionAn arenesulfonic acid that is 3-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]-6-iminocyclohexa-1,4-diene-1-sulfonic acid in which the hydrogens ortho to the amino functions are replaced by phenyl groups. The disodium salt is the biological stain 'acid fuchsin'.
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H19N3O9S3
Net Charge0
Average Mass541.585
Monoisotopic Mass541.02834
SMILESCc1cc(/C(=C2/C=CC(=N)C(S(=O)(=O)O)=C2)c2ccc(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N
InChIInChI=1S/C20H19N3O9S3/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b19-11-,21-14?
InChIKeyWWVJUCNOSUHCFP-SDFLBUSUSA-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)
acid fuchsin (free acid form) (CHEBI:87059) is a arenesulfonic acid (CHEBI:33555)
acid fuchsin (free acid form) (CHEBI:87059) is a imine (CHEBI:24783)
acid fuchsin (free acid form) (CHEBI:87059) is a primary arylamine (CHEBI:50471)
acid fuchsin (free acid form) (CHEBI:87059) is conjugate acid of acid fuchsin(2−) (CHEBI:87062)
Incoming Relation(s)
acid fuchsin(2−) (CHEBI:87062) is conjugate base of acid fuchsin (free acid form) (CHEBI:87059)
IUPAC Name 
2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonic acid