S4Y
Summary
| Name: | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide |
| Formula: | C11 H13 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 240.686 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{R})-5-(4-chlorophenyl)oxolane-2-carbohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15) |
| InChIKey | InChI | 1.03 | ADMQSYHHBOTIMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=O)[C@@H]1CC[C@@H](O1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | NNC(=O)[CH]1CC[CH](O1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCC(O2)C(=O)NN)Cl |
