OIZ
Summary
| Name: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol |
| Synonyms: | L-carbaxylosyl chloride |
| Formula: | C6 H9 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 164.587 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.06 | CGZQOMOYCGJBIC-UNTFVMJOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C=C[C@H](Cl)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1C=C[CH](Cl)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(C(C(C1O)O)O)Cl |
