G4Z
Summary
| Name: | (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol |
| Formula: | C13 H20 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 289.821 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20ClNO2S/c1-13(2,12(16)15(3)8-9-18)17-11-6-4-10(14)5-7-11/h4-7,12,16,18H,8-9H2,1-3H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | AHYZNYDXIBVDSY-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCS)[C@H](O)C(C)(C)Oc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CN(CCS)[CH](O)C(C)(C)Oc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(N(C)CCS)O)Oc1ccc(cc1)Cl |
