IJP
Summary
| Name: | 3,5-dimethoxy-4-oxidanyl-benzoic acid |
| Synonyms: | Syringic acid |
| Formula: | C9 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 198.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-dimethoxy-4-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.06 | JMSVCTWVEWCHDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1O)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)OC)C(=O)O |
