Terminology Service for NFDI4Health
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ZXI 8901

Go to external page http://purl.obolibrary.org/obo/CHEBI_39402

Term info

Label

ZXI 8901

Synonyms
  • [3-(4-bromophenoxy)phenyl](cyano)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
[3-(4-bromophenoxy)phenyl](cyano)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate [ IUPAC ]

charge

0

formula

C26H22BrF2NO4

has obo namespace

chebi_ontology

has related synonym

flubrocythrinate

id

CHEBI:39402

inchi

InChI=1S/C26H22BrF2NO4/c1-16(2)24(17-6-10-21(11-7-17)33-26(28)29)25(31)34-23(15-30)18-4-3-5-22(14-18)32-20-12-8-19(27)9-13-20/h3-14,16,23-24,26H,1-2H3

inchikey

BUHNCQOJJZAOMJ-UHFFFAOYSA-N

mass

530.35803

monoisotopicmass

529.07003

smiles

CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1