CIZ

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Summary

Name:(~{Z})-2-methylbut-2-enedioic acid
Synonyms:CITRACONATE
Formula:C5 H6 O4
Formal charge:0
Molecular weight:130.099 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-2-methylbut-2-enedioic acid
OpenEye OEToolkits1.7.6(Z)-2-methylbut-2-enedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(C)=[C@H]C(O)=O
InChIInChI1.03InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyInChI1.03HNEGQIOMVPPMNR-IHWYPQMZSA-N
SMILES_CANONICALCACTVS3.385CC(=C/C(O)=O)/C(O)=O
SMILESCACTVS3.385CC(=CC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C/C(=C/C(=O)O)/C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(=CC(=O)O)C(=O)O
167518
PDB entries from 2020-08-12