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CHEBI:63930 - menadione sulfonic acid

ChEBI IDCHEBI:63930
ChEBI Namemenadione sulfonic acid
Stars
DefinitionAn organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H10O5S
Net Charge0
Average Mass254.263
Monoisotopic Mass254.02489
SMILESCC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O
InChIInChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyWIXFIQKTHUVFDI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
menadione sulfonic acid (CHEBI:63930) has functional parent menadione (CHEBI:28869)
menadione sulfonic acid (CHEBI:63930) is a organosulfonic acid (CHEBI:33551)
menadione sulfonic acid (CHEBI:63930) is conjugate acid of menadione sulfonate (CHEBI:63929)
Incoming Relation(s)
menadione sulfonate (CHEBI:63929) is conjugate base of menadione sulfonic acid (CHEBI:63930)
IUPAC Name 
2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
Synonyms  Source
Menadione bisulfiteChemIDplus
menadione sulfonateChEBI
1,2,3,4-Tetrahydro-2-methyl-1, 4-dioxo-2-naphthalenesulfonic acidChemIDplus
Manual XrefsDatabases
1684DrugCentral
Registry NumbersSources
Reaxys:2812196Reaxys
CAS:130-36-9ChemIDplus