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CHEBI:87465 - 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid

ChEBI IDCHEBI:87465
ChEBI Name5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
Stars
DefinitionA naphthalenesulfonic acid that is 3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid carrying additional phenyldiazenyl, hydroxy and acetamido substituents at position 3, 4, and 5 respectively. The disodium salt is the biological stain 'azophloxine'.
Last Modified13 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H15N3O8S2
Net Charge0
Average Mass465.465
Monoisotopic Mass465.03006
SMILESCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12
InChIInChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)
InChIKeyRSNSKUBBVCGSND-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465) is a acetamides (CHEBI:22160)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465) is a azobenzenes (CHEBI:22682)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465) is a naphthalenesulfonic acid (CHEBI:36336)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465) is a naphthols (CHEBI:25392)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465) is conjugate acid of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87466)
Incoming Relation(s)
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate (CHEBI:87466) is conjugate base of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CHEBI:87465)
IUPAC Name 
5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
Synonyms  Source
azophloxine free acidChEBI
acid red 1 free acidChEBI
acid red 1 (free acid form)ChEBI
5-(Acetylamino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acidChemIDplus
Registry NumbersSources
Reaxys:732853Reaxys
CAS:25317-20-8ChemIDplus