SNY
Summary
| Name: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal |
| Synonyms: | Sinapaldehyde |
| Formula: | C11 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 208.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal |
| OpenEye OEToolkits | 1.7.0 | (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C\C=C\c1cc(OC)c(O)c(OC)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(\C=C\C=O)cc(OC)c1O |
| SMILES | CACTVS | 3.370 | COc1cc(C=CC=O)cc(OC)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(cc(c1O)OC)/C=C/C=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(cc(c1O)OC)C=CC=O |
| InChI | InChI | 1.03 | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ |
| InChIKey | InChI | 1.03 | CDICDSOGTRCHMG-ONEGZZNKSA-N |
