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CHEBI:47125 - 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:47125
ChEBI Name4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC13H9BrO5S
Net Charge0
Average Mass357.181
Monoisotopic Mass355.93541
SMILES[H]OC(=O)c1sc(-c2c([H])c([H])c([H])c([H])c2[H])c(Br)c1OC([H])([H])C(=O)O[H]
InChIInChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKeyMVDWLRCTJUXCCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID (CHEBI:47125) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acidPDBeChem
4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
509PDBeChem