2HD
Summary
Name: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate |
Formula: | C19 H41 O4 P |
Formal charge: | 0 |
Formula weight: | 364.5 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate |
OpenEye OEToolkits | 1.7.6 | 1-[(2R)-2,3-dibutoxypropoxy]phosphonoyloctane |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(OCC(OCCCC)COCCCC)CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | NQMHEQXQHWVUHF-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC[P@H](=O)OC[C@@H](COCCCC)OCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCC[PH](=O)OC[CH](COCCCC)OCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCP(=O)OCC(COCCCC)OCCCC |