orthonym.validation.spelling.checks_hydrogen

Note

Internal API. Names and behaviour may change between releases.

Spelling check: indicated hydrogen (registered with orthonym.validation.pin_spelling.register()).

The count of indicated hydrogens each ring system needs comes from the RDKit structure (indicated_hydrogen); the name side is its front nH- groups. No naming code, no OPSIN.

orthonym.validation.spelling.checks_hydrogen.indicated_hydrogen_check(mol, name)

(the Blue Book) “in a preferred IUPAC name a locant and the symbol ‘H’ must be cited”; (:24639). The name cites fewer front indicated-hydrogen groups than the ring systems of the structure need (indicated_hydrogen). Charged ring atoms abstain (the ylium/uide parents are formed from the neutral parent hydride by operations the count does not model). A skeletal-replacement monocycle with explicit ‘ene’ endings names no mancude parent and needs none: (:16558) numbers its heteroatoms and then its unsaturated sites, and (heading:23692):23694 forms the PIN “by changing the ‘ane’ ending of the saturated heteromonocycle to ‘ene’, ‘adiene’, etc.” (‘1-azacyclotrideca-2,4,6,8,10,12-hexaene (PIN)’:23698, not ‘1H-1-aza[13]annulene’:16580).

orthonym.validation.spelling.checks_hydrogen.assembly_indicated_hydrogen_check(mol, name)

(the Blue Book) “Any remaining saturated ring positions are designated as indicated hydrogen, placed together with the appropriate locant(s) at the front of the name of the assembly.”;:15599 ‘6H,6’H-2,2’-bipyran (PIN) (not 2,2’-bi-6H-pyran)’; the next paragraph (:15595) calls the front position “a change from its position in previous editions (refs. 1 and 2) where it was kept with the name of the individual ring, for example, 2,2’-bi-2H-pyran”. A name that keeps the indicated hydrogen with the component, after the multiplying prefix (‘4,4’-bi(4H-1,4-oxazine)’), is the previous editions’ spelling, not the PIN. Lexical only.