CHEBI:63930 - menadione sulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name menadione sulfonic acid
ChEBI ID CHEBI:63930
Definition An organosulfonic acid obtained by formal hydrosulfonation across the 2 and 3 positions of menadione.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H10O5S
Net Charge 0
Average Mass 254.25900
Monoisotopic Mass 254.02489
InChI InChI=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)
InChIKey WIXFIQKTHUVFDI-UHFFFAOYSA-N
SMILES CC1(CC(=O)c2ccccc2C1=O)S(O)(=O)=O
ChEBI Ontology
Outgoing 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 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 Sources
1,2,3,4-Tetrahydro-2-methyl-1, 4-dioxo-2-naphthalenesulfonic acid ChemIDplus
Menadione bisulfite ChemIDplus
menadione sulfonate ChEBI
Manual Xref Database
1684 DrugCentral
View more database links
Registry Numbers Types Sources
130-36-9 CAS Registry Number ChemIDplus
2812196 Reaxys Registry Number Reaxys
Last Modified
22 February 2017