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Crate chematic_iupac

Crate chematic_iupac 

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chematic-iupac — local IUPAC name generation, no network required.

Supports:

  • Linear alkanes and cycloalkanes
  • Alkenes (-ene) and alkynes (-yne) with one unsaturation
  • Simple derivatives: alcohols (-ol), amines (-amine), aldehydes (-al), ketones (-one with position locant), carboxylic acids (-oic acid)
  • Esters (alkyl alkanoate) — linear, primary esters
  • Primary/secondary amides (-anamide)
  • Halogen substituents: fluoro-, chloro-, bromo-, iodo-
  • Common aromatic heterocycles: benzene, pyridine, furan, thiophene, pyrrole, imidazole, pyrimidine

Complex polycyclic systems, stereo descriptors, and structures outside the above scope return IupacError::NotSupported.

Enums§

IupacError
Error returned by name.

Functions§

name
Generate a local IUPAC name for mol.