S24
Summary
| Name: | S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate |
| Formula: | C7 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 186.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate |
| OpenEye OEToolkits | 1.5.0 | (2,4-dihydroxyphenyl)sulfanylmethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Sc1ccc(O)cc1O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Sc1ccc(O)cc1O |
| SMILES | CACTVS | 3.341 | OC(=O)Sc1ccc(O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)O)SC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)O)SC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11) |
| InChIKey | InChI | 1.03 | MFTAINZKTCOZPX-UHFFFAOYSA-N |
