Y34
Summary
| Name: | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid |
| Formula: | C7 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 186.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2COc1c(csc1C(=O)O)O2 |
| InChI | InChI | 1.03 | InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9) |
| InChIKey | InChI | 1.03 | DCCRIIFBJZOPAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1scc2OCCOc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1scc2OCCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c(s1)C(=O)O)OCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c(s1)C(=O)O)OCCO2 |
