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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701) #4352

Closed K-r-ll closed 1 year ago

K-r-ll commented 1 year ago

Please add some more names, references and maybe a 3-D structure to 1-hydroxy-1,3-dioxobenziodoxole (CHEBI:52701)

CAS 61717-82-6 https://en.wikipedia.org/wiki/2-Iodoxybenzoic_acid

According to the Wikipedia article above, Preferred IUPAC name is "1-hydroxy-1λ5,2-benziodoxole-1,3-dione" while PubChem CID: 339496 gives the IUPAC name as "1-hydroxy-1-oxo-1λ5,2-benziodoxol-3-one".

The crystal structure is available from CCDC 683965

Other names: IBX 2-iodoxybenzoic acid o-iodoxybenzoic acid o-Iodoxybenzoesäure [German] 1-Hydroxy-1,2-benziodoxol-3-on-1-oxid [German] acide 2-iodoxybenzoïque [French] ácido 2-yodoxibenzoico [Spanish]

Literarure references: PMID: 21271626 PMID: 29166031 PMID: 15763595 PMID: 16218584 PMID: 21820458 PMID: 19924094 PMID: 20715768 PMID: 35295969 PMID: 22423599 PMID: 24309193 PMID: 15987173 PMID: 15099102 PMID: 22023037 PMID: 24512551 PMID: 12943417 PMID: 12182609 PMID: 12608839 PMID: 21247180 PMID: 11796071 PMID: 12074652 PMID: 31244157 PMID: 33507605 PMID: 11878977 PMID: 12816514 PMID: 26020465 PMID: 30996775 PMID: 11878978 PMID: 36162101 PMID: 20820531 PMID: 29236486 PMID: 16637095 PMID: 25271695 PMID: 1420464 PMID: 28497968 PMID: 16566050 PMID: 34410728 PMID: 17221993 PMID: 30254705 PMID: 31956767 PMID: 26937585 PMID: 22148366 PMID: 22780104 PMID: 26891598 PMID: 28497973 PMID: 19685250 PMID: 19610592 PMID: 18512969 PMID: 11457049 PMID: 16292876 PMID: 26368318 PMID: 24014894 PMID: 12973775 PMID: 16465333 PMID: 18973384 PMID: 30354121 PMID: 18345680 PMID: 22290292 PMID: 21364550 PMID: 32192330

amalik01 commented 1 year ago

Now added. Several of the synonyms provided belong to its tautomer (CHEBI:52700)