512
Summary
| Name: | 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID |
| Formula: | C7 H5 Br O5 S |
| Formal charge: | 0 |
| Formula weight: | 281.081 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1c(OCC(=O)O)c(sc1)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)COc1c(Br)csc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)COc1c(Br)csc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(c(s1)C(=O)O)OCC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(c(s1)C(=O)O)OCC(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | VDPVVSMGWNMCBP-UHFFFAOYSA-N |
