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CHEBI:53088 - alizarin complexone

ChEBI IDCHEBI:53088
ChEBI Namealizarin complexone
Stars
DefinitionA dihydroxyanthraquinone compound in which the hydroxy groups are at C-1 and C-2 and which has a bis[(carboxymethyl)amino]methyl substituent at the 3-position.
Last Modified15 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC19H15NO8
Net Charge0
Average Mass385.328
Monoisotopic Mass385.07977
SMILESO=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)
InChIKeyPWIGYBONXWGOQE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
colorimetric reagent  A reagent used in the determination of the concentration of a coloured chemical element or chemical compound in solution.
ChEBI Ontology
Outgoing Relation(s)
alizarin complexone (CHEBI:53088) has role colorimetric reagent (CHEBI:67126)
alizarin complexone (CHEBI:53088) is a dicarboxylic acid (CHEBI:35692)
alizarin complexone (CHEBI:53088) is a dihydroxyanthraquinone (CHEBI:37484)
IUPAC Name 
2,2'-{[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]imino}diacetic acid
Synonyms  Source
Alizarin complexoneChemIDplus
{[(3,4-Dihydroxy-2-anthraquinonyl)methyl]imino}diacetic acid dihydrateChemIDplus
1,2-Dihydroxy-anthrachinon-3-methylen-iminodiessigsaeureChemIDplus
3-Aminomethylalizarin-N,N-diacetic acidChemIDplus
Alizarin Fluorine BlueChemIDplus
Alizarin complexonChemIDplus
Registry NumbersSources
Beilstein:2190028Beilstein
Gmelin:63214Gmelin
CAS:3952-78-1ChemIDplus
Citations