I5Q
Summary
| Name: | (2S)-butane-1,2-diol |
| Formula: | C4 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 90.121 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-butane-1,2-diol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-butane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | BMRWNKZVCUKKSR-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CO)O |
