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CHEBI:137471 - tetrahydroxy-1,4-benzoquinone hydrate

ChEBI IDCHEBI:137471
ChEBI Nametetrahydroxy-1,4-benzoquinone hydrate
Stars
DefinitionThe hydrate of tetrahydroxy-1,4-benzoquinone. The number of water molecules of crystallization (n) is variable, although most commonly the dihydrate (shown in the diagram) is formed in the solid phase.
Last Modified20 June 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H4O6.2H2O
Net Charge0
Average Mass208.122
Monoisotopic Mass208.02192
SMILESO.O.O=C1C(O)=C(O)C(=O)C(O)=C1O
InChIInChI=1S/C6H4O6.2H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;2*1H2
InChIKeyPTIMJXRLFTZAOV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tetrahydroxy-1,4-benzoquinone hydrate (CHEBI:137471) has part tetrahydroxy-1,4-benzoquinone (CHEBI:137472)
tetrahydroxy-1,4-benzoquinone hydrate (CHEBI:137471) is a hydrate (CHEBI:35505)
IUPAC Name 
2,3,5,6-tetrahydroxy-1,4-benzoquinone hydrate (1:x)
Synonyms  Source
2,3,5,6-tetrahydroxy-2,5-cyclohexadiene-1,4-dione hydrateChEBI
2,3,5,6-tetrahydroxy-2,5-cyclohexadiene-1,4-dione hydrate (1:?)ChEBI
Registry NumbersSources
CAS:123334-16-7ChEBI
Citations