Item _chemical_formula.moiety

Description

              Formula with each discrete bonded residue or ion shown as a
               separate moiety. See the CHEMICAL_FORUMULA category description
               for rules for writing chemical formulae. In addition to the 
               general formulae requirements, the following rules apply:
                  1. Moieties are separated by commas ','.
                  2. The order of elements within a moiety follows general rule
                     5 in the CHEMICAL_FORMULA category description.
                  3. Parentheses are not used within moieties but may surround
                     a moiety. Parentheses may not be nested.
                  4. Charges should be placed at the end of the moiety. The
                     charge '+' or '-' may be preceded by a numerical multiplier
                     and should be separated from the last (element symbol +
                     count) by a space. Pre- or post-multipliers may be used for
                     individual moieties.

Category

Item Examples

Example 1:

C7 H4 Cl Hg N O3 S

Example 2:

C12 H17 N4 O S 1+, C6 H2 N3 O7 1-

Example 3:

C12 H16 N2 O6, 5(H2 O1)

Example 4:

(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)

Mandatory Code

Data Type Code

Alias Names