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CHEBI:87389 - chromoxane cyanin R free acid

ChEBI IDCHEBI:87389
ChEBI Namechromoxane cyanin R free acid
Stars
DefinitionA member of the class of benzoic acids that is 2-hydroxy-3-methyl-5-[(2-sulfophenyl)methyl]benzoic acid in which both of the benzylic hydrogens are replaced by a 3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene group. The trisodium salt is the biological stain 'chromoxane cyanin R'.
Last Modified7 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H18O9S
Net Charge0
Average Mass470.455
Monoisotopic Mass470.06715
SMILESCC1=C/C(=C(/c2cc(C)c(O)c(C(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(C(=O)O)C1=O
InChIInChI=1S/C23H18O9S/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32)/b19-14+
InChIKeyKXOWVZNVTQLQPD-XMHGGMMESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
chromoxane cyanin R free acid (CHEBI:87389) has role histological dye (CHEBI:77178)
chromoxane cyanin R free acid (CHEBI:87389) is a arenesulfonic acid (CHEBI:33555)
chromoxane cyanin R free acid (CHEBI:87389) is a monohydroxybenzoic acid (CHEBI:25389)
chromoxane cyanin R free acid (CHEBI:87389) is a quinomethanes (CHEBI:52404)
chromoxane cyanin R free acid (CHEBI:87389) is conjugate acid of chromoxane cyanin R(3−) (CHEBI:87387)
Incoming Relation(s)
chromoxane cyanin R(3−) (CHEBI:87387) is conjugate base of chromoxane cyanin R free acid (CHEBI:87389)
IUPAC Name 
5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Registry NumbersSources
Reaxys:2230086Reaxys