G8O
Summary
| Name: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
| Formula: | C13 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 264.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | VAKYPMHQCMQOCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(cc1C(O)=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1C(O)=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1c2cccs2)C(=O)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1c2cccs2)C(=O)O)OC |
