SXX
Summary
| Name: | SINAPINATE |
| Formula: | C11 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 224.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(\C=C\C(O)=O)cc(OC)c1O |
| SMILES | CACTVS | 3.341 | COc1cc(C=CC(O)=O)cc(OC)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)OC)\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)OC)C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ |
| InChIKey | InChI | 1.03 | PCMORTLOPMLEFB-ONEGZZNKSA-N |
