Hierarchically ordered spherical description

Consider a conventional encoding of chemical structures in C-NMR spectroscopy as introduced with the so-called HOSE code (hierarchically ordered spherical description of environment). Table 7.4 contains some symbol descriptions of this code. 

Figure 7.3 Spheres around a carbon atom bold face) as the basis for encoding the structure by the hierarchically ordered spherical description of environment (HOSE) code.

HOSE = hierarchically ordered spherical description of environment MCSS = maximal common substructure PEG = pulsed field gradient. 

The HOSE code (hierarchically ordered spherical description of environment) method was introduced by Bremser in 1978 and is widely used in commercially available spectrum prediction programs. The fundamental idea is to convert the connectivity table into a linear notation and to correlate this substructure description with the corresponding chemical shift value. 

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