2HD

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Summary

Name:(2R)-2,3-dibutoxypropyl (R)-octylphosphinate
Formula:C19 H41 O4 P
Formal charge:0
Molecular weight:364.5 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2,3-dibutoxypropyl (R)-octylphosphinate
OpenEye OEToolkits1.7.61-[(2R)-2,3-dibutoxypropoxy]phosphonoyloctane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(OCCCC)COCCCC)CCCCCCCC
InChIInChI1.03InChI=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
InChIKeyInChI1.03NQMHEQXQHWVUHF-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC[P@H](=O)OC[C@@H](COCCCC)OCCCC
SMILESCACTVS3.385CCCCCCCC[PH](=O)OC[CH](COCCCC)OCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCP(=O)OCC(COCCCC)OCCCC
167327
PDB entries from 2020-08-05