7B5
Summary
| Name: | methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate |
| Formula: | C21 H37 O7 P |
| Formal charge: | 0 |
| Formula weight: | 432.488 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H37O7P/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-27-20(21(22)24-5)16-28-29(23,25-6)26-7/h10,12,14,20H,8-9,11,13,15-16H2,1-7H3/b18-12+,19-14-/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | KGEZAZGNLOIEBB-KXPRUBRRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](CO[P](=O)(OC)OC)OC\C=C(C)/CC\C=C(C)\CCC=C(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](CO[P](=O)(OC)OC)OCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCCC(=CCCC(=CCOC(COP(=O)(OC)OC)C(=O)OC)C)C)C |
