Skip to main content

Advertisement

Table 1 Ambiguous SMARTS for transfermium element symbols officially named since 1997

From: Technical implications of new IUPAC elements in cheminformatics

Ambiguous SMARTS Element name Element SMARTS Expression meaning Expression SMARTS
[No] Nobelium [#102] Aliphatic nitrogen and aromatic oxygen (logically impossible)
[Db] Dubnium [#105] Aromatic boron with on explicit bond (possible on fragment matching) [D&b] or [bD]
[Bh] Bohrium [#107] Aliphatic boron with at least one implicit hydrogen [B&h] or [hB]
[Hs] Hassium [#108] Aromatic sulfur with one explicit hydrogen [H&s] or [sH]
[Ds] Darmstadtium [#110] Aromatic sulfur with one explicit bond (possible on fragment matching) [D&s] or [sD]
[Cn] Copernicium [#112] Aliphatic Carbon and aromatic nitrogen (logically impossible)
[Nh] Nihonium [#113] Nitrogen with at least one implicit hydrogen [N&h] or [hN]
  1. The meaning in SMARTS changes between cheminformatics toolkits and are either interpreted as matching specific elements or as expressions. Unambiguous SMARTS are provided for each of these cases