EOU

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Summary

Name:dimethyl (~{E})-but-2-enedioate
Formula:C6 H8 O4
Formal charge:0
Molecular weight:144.125 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7dimethyl (~{E})-but-2-enedioate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKeyInChI1.03LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES_CANONICALCACTVS3.385COC(=O)/C=C/C(=O)OC
SMILESCACTVS3.385COC(=O)C=CC(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)/C=C/C(=O)OC
SMILESOpenEye OEToolkits2.0.7COC(=O)C=CC(=O)OC
170172
PDB entries from 2020-10-21