MF1
Summary
| Name: | [(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid |
| Formula: | C29 H47 O4 P |
| Formal charge: | 0 |
| Formula weight: | 490.655 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | [(~{S})-naphthalen-1-yl(octadecoxy)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCCCCCCCCCCCCCCOC(P(O)(O)=O)c1cccc2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C29H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-33-29(34(30,31)32)28-24-20-22-26-21-17-18-23-27(26)28/h17-18,20-24,29H,2-16,19,25H2,1H3,(H2,30,31,32)/t29-/m0/s1 |
| InChIKey | InChI | 1.03 | IIAOXWLLPSQBBO-LJAQVGFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2ccccc12)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCO[CH](c1cccc2ccccc12)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCCCCOC(c1cccc2c1cccc2)P(=O)(O)O |
