IT9
Summary
| Name: | (-)-Isopiperitenone |
| Formula: | C10 H14 O |
| Formal charge: | 0 |
| Formula weight: | 150.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (6~{R})-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | SEZLYIWMVRUIKT-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@H]1CCC(=CC1=O)C |
| SMILES | CACTVS | 3.385 | CC(=C)[CH]1CCC(=CC1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1=CC(=O)[C@H](CC1)C(=C)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1=CC(=O)C(CC1)C(=C)C |
