256
Summary
| Name: | PHENYL(SULFO)ACETIC ACID |
| Synonyms: | RU79256 |
| Formula: | C8 H8 O5 S |
| Formal charge: | 0 |
| Formula weight: | 216.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-phenyl(sulfo)ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-phenyl-2-sulfo-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)C(C(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H](c1ccccc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](c1ccccc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | USNMCXDGQQVYSW-SSDOTTSWSA-N |
