6WR
Summary
| Name: | (1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol |
| Formula: | C15 H17 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 264.747 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17ClO2/c16-14-8-11(17)3-5-12(14)9-1-4-13-10(7-9)2-6-15(13)18/h1,3,5,8,10,13,15,17-18H,2,4,6-7H2/t10-,13+,15+/m1/s1 |
| InChIKey | InChI | 1.03 | QQVIWGFCZXIXCJ-DGFSRKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CC[C@@H]2CC(=CC[C@H]12)c3ccc(O)cc3Cl |
| SMILES | CACTVS | 3.385 | O[CH]1CC[CH]2CC(=CC[CH]12)c3ccc(O)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1O)Cl)C2=CCC3C(C2)CCC3O |
