CHEBI:81537 - 2,2',3,4,4',5',6-Heptabromodiphenyl ether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2',3,4,4',5',6-Heptabromodiphenyl ether
ChEBI ID CHEBI:81537
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H3Br7O
Net Charge 0
Average Mass 722.48000
Monoisotopic Mass 715.44676
InChI InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H
InChIKey ILPSCQCLBHQUEM-UHFFFAOYSA-N
SMILES Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br
ChEBI Ontology
Outgoing 2,2',3,4,4',5',6-Heptabromodiphenyl ether (CHEBI:81537) is a aromatic ether (CHEBI:35618)
2,2',3,4,4',5',6-Heptabromodiphenyl ether (CHEBI:81537) is a organobromine compound (CHEBI:37141)
Synonyms Sources
1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene KEGG COMPOUND
BDE 183 KEGG COMPOUND
Manual Xrefs Databases
C18140 KEGG COMPOUND
HMDB0037546 HMDB
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Registry Number Type Source
207122-16-5 CAS Registry Number KEGG COMPOUND