5V6
Summary
| Name: | 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid |
| Formula: | C13 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 248.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12O3S/c1-16-12-3-2-9(7-13(14)15)6-11(12)10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | JRNVDXIGCSDEEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(O)=O)cc1c2cscc2 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(O)=O)cc1c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1c2ccsc2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1c2ccsc2)CC(=O)O |
