LW2
Summary
| Name: | (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one |
| Formula: | C8 H10 O3 S |
| Formal charge: | 0 |
| Formula weight: | 186.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one |
| OpenEye OEToolkits | 2.0.6 | (3~{S},4~{S})-3,4-bis(oxidanyl)-4-thiophen-2-yl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C(C(c1sccc1)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H10O3S/c1-5(9)7(10)8(11)6-3-2-4-12-6/h2-4,7-8,10-11H,1H3/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IGRSBLNSJJCYEW-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@H](O)[C@H](O)c1sccc1 |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](O)[CH](O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)[C@H]([C@@H](c1cccs1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)C(C(c1cccs1)O)O |
