6KX
Summary
| Name: | beta-cyclocitral |
| Formula: | C10 H16 O |
| Formal charge: | 0 |
| Formula weight: | 152.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2,6,6-trimethylcyclohexene-1-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | MOQGCGNUWBPGTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C=O)C(C)(C)CCC1 |
| SMILES | CACTVS | 3.385 | CC1=C(C=O)C(C)(C)CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1=C(C(CCC1)(C)C)C=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1=C(C(CCC1)(C)C)C=O |
