A1D7F
Summary
| Name: | 5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol |
| Formula: | C15 H23 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 270.795 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H23ClO2/c1-11(5-3-4-6-12(2)16)7-13-8-14(17)10-15(18)9-13/h8-12,17-18H,3-7H2,1-2H3/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | IDGYFUOTKOBQGZ-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Cl)CCCC[C@H](C)Cc1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.385 | C[CH](Cl)CCCC[CH](C)Cc1cc(O)cc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCCC[C@@H](C)Cl)Cc1cc(cc(c1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCCCC(C)Cl)Cc1cc(cc(c1)O)O |
