M1U
Summary
| Name: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol |
| Formula: | C10 H17 Cl O |
| Formal charge: | 0 |
| Formula weight: | 188.694 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H17ClO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1 |
| InChIKey | InChI | 1.06 | DOPWCACTFDDQSY-UTLUCORTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)C1 |
| SMILES | CACTVS | 3.385 | CC(=C)[CH]1CC[C](C)(O)[CH](Cl)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C)[C@@H]1CC[C@]([C@H](C1)Cl)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C)C1CCC(C(C1)Cl)(C)O |
