orthonym.rules.multiplicative_general#

Note

Internal API. Names and behaviour may change between releases.

General multiplicative detector,.

One graph-level detector for “identical parent structures linked by a di- or polyvalent group” that the narrow shape handlers of rules/multiplicative.py do not claim. It runs after them (name_multiplicative).

Blue Book (the Blue Book):

  • “Preferred IUPAC multiplicative names” (:23178): “Multiplicative nomenclature is preferred to substitutive nomenclature for generating preferred IUPAC names to express multiple occurrences of identical parent structures, other than alkanes when (1) the linking bonds (single or multiple) between the central substituent group of the multiplicative group and all subsequent structural units are identical and (2) the multiplicative groups, other than the central multiplicative group, are symmetrically substituted; and (3) the locants of all substituent groups on the identical parent structures, including suffix groups, are identical” (:23180-23185).

  • (:23246): “A maximum number of identical parent structures must be expressed by the multiplicative name.”

  • (:23242): phane names when four or more rings, two of them terminal, form a linear system of at least seven nodes (2),:23829); skeletal replacement when its conditions are met,:23348: “four or more heterounits… in an acyclic chain”).

  • (:23309) /: the seniority of classes decides between a parent structure and a component of the multiplicative group: every principal characteristic group lies in a parent unit here.

  • (:5238): a concatenated group cites “first… the central multiplicative substituent group, followed by a multiplicative prefix… and then, in order, and in the direction toward the identical parent structures, the names of successive di- or polyvalent substituent groups”; Note (:5263) “not prefixed by separate multiplicative prefixes”.

  • (:5285): “the sequence of atoms and bonds, starting at the central substituent group, are identical in each of the branches”.

  • (:5297): “lowest locants to the atoms that are at the end of the component nearest to the multiplied parent structure, except where the component has a fixed numbering. The locants attached to the multiplied parent structure are cited last. When there is no choice the locants are cited in increasing numerical order.”

  • (:5776): “The numbering of the identical parent structural unit is retained and, when there is a choice, the locants of the point of substitution by the linking multiplicative substituent groups on the identical parent structure are as low as possible”; “(the locant 1 is omitted when alone in the name of a mononuclear parent hydride)”.

  • (:6176): substituted identical units “are treated as a compound or complex group, enclosed in parentheses, square brackets, or braces… and designated by the appropriate numerical prefix ‘bis’, ‘tris’, ‘tetrakis’”.

  • (:6295): “Unsymmetrical central multiplicative substituent groups are allowed if they are formed from a multivalent substituent group to which subsequent groups are attached by identical bonds”.

  • (:18917): “N > P > As > Sb > Bi > Si > Ge > Sn > Pb > B > Al > Ga > In > Tl > O > S > Se > Te > C… applied to select the senior atom in parents and to choose between rings and chains”; rings are then chosen by.

  • (:31794): esters of a multiplied acid component cite “all organyl components… in front of the name of the multiplied acid component”; ‘dimethyl 3,3’-oxydibenzoate (PIN)’, ‘ethyl methyl 3,3’-oxydibenzoate (PIN)’ (:31801,:31803).

Scope (everything else declines, so the narrow handlers and the substitutive path keep the molecule): neutral (nitro groups aside), no isotopes, no E/Z, monocyclic ring systems only, saturated or mancude rings that need no indicated hydrogen, unbranched chain parents, at most one principal characteristic group per unit, a linker made of rings, unbranched carbon chains, chalcogen atoms or chains, -NH-, -N< and =N-N=, with no substituents on the linker and no stereocentre in it.

orthonym.rules.multiplicative_general.name_general_multiplicative(mol)#

A multiplicative PIN for mol, or None.

Only for a whole molecule: a fragment named inside another name (a substituent group whose capped fragment is named and turned into a prefix, a decomposition fragment) keeps the substitutive name its enclosing name needs; a multiplicative name cannot be written as a prefix (‘methylenebis(silane)’ for the ‘(disilylmethyl)’ group of ‘4-(disilylmethyl)hexan-2-one’).