loading...| Preferred Name | rose bengal | |
| Synonyms |
Rose bengale Red No. 105 Bengal rose Acid red 94 C.I. 45440 dipotassium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate |
|
| Definitions |
An organic potassium salt that is the dipotassium salt of 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_52261 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25457982 Reaxys:4121962 PMID:25724798 CAS:11121-48-5 PMID:25954827 PMID:26117192 PMID:26131664 |
|
| definition |
An organic potassium salt that is the dipotassium salt of 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid. |
|
| formula |
C20H2Cl4I4K2O5 |
|
| has functional parent | ||
| has part | ||
| has role | ||
| has_alternative_id |
CHEBI:87199 |
|
| has_exact_synonym |
dipotassium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Rose bengale Red No. 105 Bengal rose Acid red 94 C.I. 45440 |
|
| id |
CHEBI:52261 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H4Cl4I4O5.2K/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2 |
|
| inchikey |
AZJPTIGZZTZIDR-UHFFFAOYSA-L |
|
| label |
rose bengal |
|
| mass |
1049.85300 |
|
| monoisotopicmass |
1047.41093 |
|
| notation |
CHEBI:52261 |
|
| prefLabel |
rose bengal |
|
| smiles |
[K+].[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |
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| treeView | ||
| subClassOf |