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3,5-Dichloro-2-methylmuconolactone

PropertiesImage
MNX_IDMNXM6775 Image of MNXM6775
referencechebi:81659
formulaC7H6Cl2O4
global charge0
mol weight225.027
InChIKeyLQQCBKRSWIGKFK-UHFFFAOYSA-N
InChIInChI=1S/C7H6Cl2O4/c1-2-3(8)5(13-7(2)12)4(9)6(10)11/h4-5H,1H3,(H,10,11)
SMILESCC1=C(Cl)C(C(Cl)C(=O)O)OC1=O
MNX internals
InChI (mnx)InChI=1/C7H6Cl2O4/c1-2-3(8)5(13-7(2)12)4(9)6(10)11/h4-5H,1H3,(H,10,11)/t4?,5? Image of MNXM6775
SMILES (mnx)[CH3:1][C:2]1=[C:3]([Cl:8])[CH:5]([CH:4]([C:6](=[O:10])[OH:11])[Cl:9])[O:13][C:7]1=[O:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...ad712815336e
envipathM:...ad712815336e
CHEBI:81659
chebi:81659
kegg.compound:C18308
keggC:C18308
LQQCBKRSWIGKFK-UHFFFAOYSA-M
LQQCBKRSWIGKFK-UHFFFAOYSA-N 		3,5-Dichloro-2-methylmuconolactone

seed.compound:cpd19574
seedM:cpd19574
LQQCBKRSWIGKFK-UHFFFAOYSA-M 		3,5-Dichloro-2-methylmuconolactone
3,5-dichloro-2-methyl-muconolactone

metacyc.compound:CPD-10850
metacycM:CPD-10850
LQQCBKRSWIGKFK-UHFFFAOYSA-M 		3,5-dichloro-2-methyl-muconolactone

keggC:M_C18308
seedM:M_cpd19574 		secondary/obsolete/fantasy identifier