A1EDX
Summary
| Name: | Idramantone |
| Synonyms: | (1S,3R)-5-oxidanyladamantan-2-one |
| Formula: | C10 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{R})-5-oxidanyladamantan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2/t6-,7-,8+,10- |
| InChIKey | InChI | 1.06 | TZBDEVBNMSLVKT-XYYXLIQBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC12CC3C[C@H](C1)C(=O)[C@@H](C3)C2 |
| SMILES | CACTVS | 3.385 | OC12CC3C[CH](C1)C(=O)[CH](C3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]2CC3(C[C@@H](C2=O)CC1C3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC(C2)(CC1C3=O)O |
