SZQ
Summary
| Name: | Trans-methylferulate |
| Synonyms: | methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate |
| Formula: | C11 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 208.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+ |
| InChIKey | InChI | 1.03 | AUJXJFHANFIVKH-GQCTYLIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C\c1ccc(O)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)C=Cc1ccc(O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)/C=C/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C=CC(=O)OC |
