Search MNXref
 Feedback

3,5-Dichloro-2-methylmuconate

PropertiesImage
MNX_IDMNXM5499 Image of MNXM5499
referencechebi:81654
formulaC7H6Cl2O4
global charge0
mol weight225.027
InChIKeyNWPNKOYCKBKKCL-JWVZGZSZSA-N
InChIInChI=1S/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/b4-3+,5-2+
SMILESC/C(C(=O)O)=C(Cl)/C=C(/Cl)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/b4-3+,5-2+ Image of MNXM5499
SMILES (mnx)[CH3:1]/[C:3](=[C:4](/[CH:2]=[C:5](\[C:7](=[O:12])[OH:13])[Cl:9])[Cl:8])[C:6](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81654
chebi:81654
kegg.compound:C18303
keggC:C18303
NWPNKOYCKBKKCL-JWVZGZSZSA-N 		3,5-Dichloro-2-methylmuconate

seed.compound:cpd19569
seedM:cpd19569
NWPNKOYCKBKKCL-JWVZGZSZSA-L 		3,5-Dichloro-2-methylmuconate
3,5-dichloro-2-methyl-muconate

envipath:...c6d121a4d2db
envipathM:...c6d121a4d2db
NWPNKOYCKBKKCL-JWVZGZSZSA-L 		3,5-Dichloro-3-methyl-cis,cis-muconate

metacyc.compound:CPD-10852
metacycM:CPD-10852
NWPNKOYCKBKKCL-JWVZGZSZSA-L 		3,5-dichloro-2-methyl-muconate

keggC:M_C18303
seedM:M_cpd19569 		secondary/obsolete/fantasy identifier