Y3P
Summary
Name: | (~{Z})-2-oxidanylbut-2-enedioic acid |
Formula: | C4 H4 O5 |
Formal charge: | 0 |
Formula weight: | 132.072 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (~{Z})-2-oxidanylbut-2-enedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1- |
InChIKey | InChI | 1.03 | UWYVPFMHMJIBHE-UPHRSURJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C(O)/C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)C=C(O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=C(/C(=O)O)\O)\C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(=C(C(=O)O)O)C(=O)O |