A1INH
Summary
| Name: | ethoxy-[2-(4-pentylphenyl)sulfanylethyl]phosphinous acid |
| Formula: | C15 H25 O2 P S |
| Formal charge: | 0 |
| Formula weight: | 300.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethoxy-[2-(4-pentylphenyl)sulfanylethyl]phosphinous acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H25O2PS/c1-3-5-6-7-14-8-10-15(11-9-14)19-13-12-18(16)17-4-2/h8-11,16H,3-7,12-13H2,1-2H3/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | FXKUIYATLFLECN-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1ccc(SCC[P@](O)OCC)cc1 |
| SMILES | CACTVS | 3.385 | CCCCCc1ccc(SCC[P](O)OCC)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCc1ccc(cc1)SCC[P@](O)OCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCc1ccc(cc1)SCCP(O)OCC |
