ZYC
Summary
| Name: | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Synonyms: | ethyl ferulate |
| Formula: | C12 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 222.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.7.0 | ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)\C=C\c1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)\C=C\c1ccc(O)c(OC)c1 |
| SMILES | CACTVS | 3.370 | CCOC(=O)C=Cc1ccc(O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)/C=C/c1ccc(c(c1)OC)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)C=Cc1ccc(c(c1)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+ |
| InChIKey | InChI | 1.03 | ATJVZXXHKSYELS-FNORWQNLSA-N |
