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(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate

MNXM6509 is deprecated and here replaced by MNXM1370690
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370690 Image of MNXM1370690
referencechebi:29000
formulaC14H8Cl5O4
global charge-1
mol weight417.479
InChIKeyHXBWHTRCTIAYBX-ZCRLHDOISA-M
InChIInChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/p-1/b6-5-,12-9+
SMILESO=C([O-])/C(O)=C(Cl)/C=C\C(=O)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl
MNX internals
InChI (mnx)InChI=1/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/b6-5-,12-9+/t11? Image of MNXM1370690
SMILES (mnx)[CH:1]1=[CH:3][C:8]([Cl:15])=[CH:4][CH:2]=[C:7]1[CH:11]([C:10](/[CH:6]=[CH:5]\[C:9](=[C:12](\[C:13](=[O:22])[OH:23])[OH:21])[Cl:16])=[O:20])[C:14]([Cl:17])([Cl:18])[Cl:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29000
chebi:29000
HXBWHTRCTIAYBX-ZCRLHDOISA-M 		(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4-dienoate
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4Z-dienoate

kegg.compound:C06651
keggC:C06651
HXBWHTRCTIAYBX-ZCRLHDOISA-N 		6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate

chebi:20744
chebi:2225
keggC:M_C06651 		secondary/obsolete/fantasy identifier