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CHEBI:87108 - 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid

ChEBI IDCHEBI:87108
ChEBI Name4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
Stars
DefinitionA naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. The disodium salt is the biological stain 'acid red 29'.
Last Modified23 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H12N2O8S2
Net Charge0
Average Mass424.412
Monoisotopic Mass424.00351
SMILESO=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C16H12N2O8S2/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10/h1-8,19-20H,(H,21,22,23)(H,24,25,26)
InChIKeyIJDLCOIGFNUHAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87108) is a azobenzenes (CHEBI:22682)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87108) is a naphthalenediols (CHEBI:23783)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87108) is a naphthalenesulfonic acid (CHEBI:36336)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87108) is conjugate acid of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87111)
Incoming Relation(s)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87111) is conjugate base of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87108)
IUPAC Name 
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
Synonym  Source
acid red 29 (free acid form)ChEBI
Registry NumbersSources
Reaxys:1917652Reaxys