G9A
Summary
Name: | (2E)-pent-2-enedioic acid |
Synonyms: | Glutaconic acid |
Formula: | C5 H6 O4 |
Formal charge: | 0 |
Formula weight: | 130.099 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2E)-pent-2-enedioic acid |
OpenEye OEToolkits | 1.7.6 | (E)-pent-2-enedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)\C=C\CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ |
InChIKey | InChI | 1.03 | XVOUMQNXTGKGMA-OWOJBTEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C/C=C/C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)CC=CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(/C=C/C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C=CC(=O)O)C(=O)O |