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CHEBI:47154 - 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:47154
ChEBI Name4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC13H9BrO6S
Net Charge0
Average Mass373.180
Monoisotopic Mass371.93032
SMILES[H]OC(=O)c1sc(-c2c([H])c([H])c(O[H])c([H])c2[H])c(Br)c1OC([H])([H])C(=O)O[H]
InChIInChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
InChIKeyQZWUMLLRAVGBHC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID (CHEBI:47154) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acidPDBeChem
4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
694PDBeChem