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5-chloro-2-methyl-maleylacetate

PropertiesImage
MNX_IDMNXM8163 Image of MNXM8163
referencemetacycM:CPD-10843
formulaC7H5ClO5
global charge-2
mol weight204.565
InChIKeyMSSBQQMQTYJNHE-IHWYPQMZSA-L
InChIInChI=1S/C7H7ClO5/c1-3(6(10)11)2-4(9)5(8)7(12)13/h2,5H,1H3,(H,10,11)(H,12,13)/p-2/b3-2-
SMILESC/C(=C/C(=O)C(Cl)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H7ClO5/c1-3(6(10)11)2-4(9)5(8)7(12)13/h2,5H,1H3,(H,10,11)(H,12,13)/b3-2-/t5? Image of MNXM8163
SMILES (mnx)[CH3:1]/[C:3](=[CH:2]/[C:4]([CH:5]([C:7](=[O:12])[OH:13])[Cl:8])=[O:9])[C:6](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10843
metacycM:CPD-10843
seed.compound:cpd22845
seedM:cpd22845
MSSBQQMQTYJNHE-IHWYPQMZSA-L
5-chloro-2-methyl-maleylacetate

seedM:M_cpd22845
secondary/obsolete/fantasy identifier