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Summary

Name:(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Formula:C7 H6 O7
Formal charge:0
Molecular weight:202.118 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
OpenEye OEToolkits1.7.6(1E,3Z)-4-oxidanylbuta-1,3-diene-1,2,4-tricarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(\O)=C\C(\C(=O)O)=C/C(=O)O
InChIInChI1.03InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1-
InChIKeyInChI1.03QWLUKZXOQAQUFQ-NAOWAUKJSA-N
SMILES_CANONICALCACTVS3.370OC(=O)\C=C(/C=C(O)/C(O)=O)C(O)=O
SMILESCACTVS3.370OC(=O)C=C(C=C(O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O
SMILESOpenEye OEToolkits1.7.6C(=C(C=C(C(=O)O)O)C(=O)O)C(=O)O