EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87111 - 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate

ChEBI IDCHEBI:87111
ChEBI Name4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate
Stars
DefinitionAn organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid.
Last Modified23 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H10N2O8S2
Net Charge-2
Average Mass422.396
Monoisotopic Mass421.98895
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)/p-2
InChIKeyIJDLCOIGFNUHAQ-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87111) is a organosulfonate oxoanion (CHEBI:33554)
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)
Incoming Relation(s)
acid red 29 (CHEBI:87106) has part 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87111)
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)
IUPAC Name 
4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate
Synonym  Source
acid red 29(2−)ChEBI