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CHEBI:87361 - 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

ChEBI IDCHEBI:87361
ChEBI Name3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Stars
DefinitionAn organosulfonate oxoanion that is the conjugate base of 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, obtained by deprotonation of the sulfo group.
Last Modified7 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H7O7S
Net Charge-1
Average Mass319.270
Monoisotopic Mass318.99180
SMILESO=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)[O-])c(O)c2O
InChIInChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
InChIKeyJKYKXTRKURYNGW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (CHEBI:87361) is a organosulfonate oxoanion (CHEBI:33554)
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (CHEBI:87361) is conjugate base of 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (CHEBI:40863)
Incoming Relation(s)
alizarin red S (CHEBI:87358) has part 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (CHEBI:87361)
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid (CHEBI:40863) is conjugate acid of 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (CHEBI:87361)
IUPAC Name 
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Registry NumbersSources
Reaxys:4156983Reaxys