HLN
Summary
| Name: | hexyl(naphthalen-2-yloxy)phosphinic acid |
| Formula: | C16 H21 O3 P |
| Formal charge: | 0 |
| Formula weight: | 292.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | naphthalen-2-yl hydrogen (R)-hexylphosphonate |
| OpenEye OEToolkits | 1.7.6 | hexyl(naphthalen-2-yloxy)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(Oc2ccc1c(cccc1)c2)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C16H21O3P/c1-2-3-4-7-12-20(17,18)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | UBECMGZHZQOIIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCC[P](O)(=O)Oc1ccc2ccccc2c1 |
| SMILES | CACTVS | 3.370 | CCCCCC[P](O)(=O)Oc1ccc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCP(=O)(O)Oc1ccc2ccccc2c1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCP(=O)(O)Oc1ccc2ccccc2c1 |
