EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49781 - 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID

Default Structure
ChEBI IDCHEBI:49781
ChEBI Name3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC18H18Br2O4
Net Charge0
Average Mass458.146
Monoisotopic Mass455.95718
SMILES[H]OC(=O)C([H])([H])C([H])([H])c1c([H])c(Br)c(Oc2c([H])c([H])c(O[H])c(C([H])(C([H])([H])[H])C([H])([H])[H])c2[H])c(Br)c1[H]
InChIInChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
InChIKeyDGODJDXDANWOEP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID (CHEBI:49781) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-{3,5-dibromo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl}propanoic acidPDBeChem
3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDPDBeChem
Manual XrefsDatabases
OEFPDBeChem