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|Home ChemPack CForm TMolForm Properties MolFormula|
|See also: ReadFromString, internal representation, ShowAsText, AsString|
The property MolFormula can be used to input a molecular formula as a string. This string has to be formatted as follows:
xxssyy xxssyy xxssyy....
Each kind of atom is represented by a three-part substring which consists of
Blanks have to be inserted where they are needed for clearness. If the atomic weight is left out, it is assumed to be the atomic weight of the most abundant isotope. The number of atoms may be omitted for single atoms.
The atomic symbols may be written with any mixture of upper and lower case letters. Please note that this leads to ambiguous notations which can be resolved only by inserting blanks at the proper places. The string "CO", for example, is interpreted as (cobalt), whereas carbon monoxide has to be written as "C O " (blank between C and O).