Standardization has been improved for the structures in the naming dictionary, e.g. consistent numbering for R-groups, and unified representation for common functional groups like "nitro" and for attachment points of groups.
The naming dictionary coverage has been greatly extended, and existing entries has been revised and improved. The dictionary now contains 266K name-structure pairs instead of 213K.
Spelling and lower/upper case handling is now unified for names in the naming dictionary.
When using the "name:common" option, the message "Warning: unexpected structure which has no preferred traditional name for export" was printed to the standard error for some structures and a sub-optimal name was returned.
Name generation is generally about 10% faster. Importantly, it is dramatically faster (hundred of times) on some large and highly symmetrical structures such as dendrimers. Such structures used to sometimes lead to long pauses or failures due to timeout, while they are now almost instantaneous.
Structures with triple bond in an otherwise aromatic ring are now named using the 'dehydro' descriptors. For instance, the structure with traditional name benzyne is now given the correct IUPAC name: 1,2-didehydrobenzene.
The groups tellurinyl and telluronyl and now supported.
The IUPAC name generated for [O-][O+]=O (ozone) is now 'trioxygen' instead of '2λ?-trioxida-1,2-diene'. The name 'ozone' is generated with the "traditional" option.
When converting CAS Registry Numbers, a more advanced detection of network proxy settings is now in place. This includes supporting the proxy auto-configuration (PAC) and the Web Proxy Autodiscovery Protocol (WPAD) protocols.
Traditional name generation (name:t) did not find common name for structures imported from common name when the structure contained a salt which had a dictionary name by itself.
Primed locants for skeletal replacement were not always listed in the right order.
A new option, name:singleCAS#, has been introduced. While name:CAS## fetches all CAS Registry Numbers associated with the structure, singleCAS## returns the lowest one (historically assigned earlier). This option also uses a public internet webservice.
When using the API to conver a structure to common name (format option "name:common") or to CAS registry number (format option "name:cas#"), an exception of class chemaxon.naming.s2n.NoKnownNameException is now thrown when no common name or CAS registry number is known for the structure. This is intended to make it easier for programs to distinguish those situations from failures.
Saturated rings inside fused ring systems are now correctly named based on the insaturated ring names (for instance pyrazine instead of piperazine) together with hydro prefixes.
In structures with sulfonamides (and similar groups) connected to a cyclic parent and N-substituted with some complex acyclic components, the wrong parent was selected, leading to incorrect IUPAC names.
Substituted benzyl was used in generated names, while this is not allowed by the IUPAC rules. These structures now get names based on substituted phenyl connected to a methyl parent, following the IUPAC rules.
Reaction molecules are now named by separating the reactents, reagents and products. For instance, molconvert name:t -s '[C].O=O>>O=C=O' returns "carbon + dioxygen ? carbon dioxide".
Structures with a cis/trans double bond resulting of the substitution of a parent functional group were named with an unnecessary and invalid "ene" suffix.
Structures with a radical on a chalcogen atom (O, S, ...) connect to a cyclic component were named incorrectly (ignoring the radical and substituents)
Some common names failed to be recognized depending on irrelevant factors, such as the atom order in the input structure.
Some structures with multiple identical functional groups were sometimes assigned different names depending on irrelevant factors, such as the atom order in the input structure.
Wrong locants (typically N instead of N') were generated for some structures with a substituted multiplied suffix.
Name generation was failing on some structures with isotopes.
For structures with isotopes, generated names used to contain non-ASCII Unicode characters even when the ASCII option was used.
A valid but suboptimal numbering was chosen in some cases, for instance (3S,4R)-2,5-diamino-3,4-dimethylhexanedioic acid instead of (3R,4S)-2,5-diamino-3,4-dimethylhexanedioic acid.
Fixed stack overflow when generating a name in the rare case of a -O=N- configuration.
Structures containing an ester and a separate fragment were named as if they were a single fragment. They are now named separately using the ';' fragment name separator.